Screening Results : Docking based on all models from entry : PF00105_ANDR_HUMAN
Display Selection :
Study :
All_Studies
BDB_LIG
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
18161
18162
18163
18164
18165
18166
18167
18168
18169
18170
18171
18172
18173
18174
18175
18176
18177
18178
18179
18180
18181
18182
18183
18184
18185
18186
18187
18188
18189
18190
18192
18193
18194
18195
18196
18197
18198
18199
18200
18201
18202
18203
18204
18205
18206
18208
18209
18210
18211
18212
18213
18214
18215
18216
18217
18218
18219
18220
18221
18222
18516
18517
18518
18519
18520
18521
18522
18523
18524
18525
18527
18528
18529
18530
18531
18532
18533
18534
18535
18536
18537
18538
18539
18540
18541
18542
18543
18544
18545
18546
18547
18548
18549
18550
18551
18552
18553
18554
18555
18556
18557
18558
18559
18560
18561
18562
18563
18564
18565
18566
18571
18572
18573
18574
18575
18577
18578
18579
18580
18582
18583
18584
18585
18586
18587
18588
18589
18590
18591
18592
18593
18594
18595
18596
18597
18598
18599
18600
18601
18602
18603
18604
18605
18606
18607
18608
18609
18610
18611
18612
18613
18614
18627
18663
18665
18678
18685
18699
19190
21725
26261
29318
29319
29320
29321
29322
29323
29324
29325
29326
29327
29328
50006109
50049486
50049487
50049488
50049489
50049490
50049492
50049493
50049494
50049496
50049501
50049502
50049503
50049505
50049507
50049508
50049509
50049510
50049511
50049512
50049513
50049515
50062405
50062406
50062407
50062410
50062411
50062413
50062414
50062415
50062416
50062417
50062421
50062423
50062433
50063094
50063095
50063096
50063097
50063098
50063100
50063101
50063102
50063103
50063104
50063105
50063106
50063107
50063108
50063109
50063110
50063111
50063112
50063113
50063114
50063115
50063116
50063117
50063118
50063119
50063120
50063121
50063123
50063124
50063125
50063126
50063127
50063128
50067668
50067670
50067671
50067678
50067684
50069059
50069060
50069061
50069062
50069064
50069065
50069066
50069067
50069068
50069069
50069070
50069071
50069072
50069073
50069074
50069075
50069076
50069077
50069078
50069079
50069080
50069081
50069082
50069083
50069084
50069085
50072697
50072699
50072701
50072704
50072705
50072709
50072713
50072714
50072716
50073060
50076296
50076297
50076298
50076300
50076302
50076305
50076306
50076308
50076309
50076311
50076700
50076701
50076702
50076703
50076704
50076705
50076706
50076707
50076708
50076709
50076710
50076711
50076712
50076713
50076714
50076715
50076716
50076717
50076718
50076720
50077094
50077095
50077096
50077097
50077099
50077100
50077104
50077105
50077107
50077108
50077109
50077110
50077111
50077112
50077113
50077114
50077115
50086507
50086509
50086511
50086512
50086513
50086514
50086519
50086525
50086527
50086529
50086530
50086532
50086534
50086535
50094569
50099679
50099680
50103246
50103247
50103249
50103254
50107347
50113776
50113777
50113778
50113780
50113781
50113782
50113783
50124593
50124594
50124596
50124597
50124606
50124611
50124615
50131268
50131269
50131270
50131271
50131272
50133133
50133136
50133140
50133144
50133146
50133151
50151059
50151060
50151061
50151063
50151065
50151066
50151067
50151068
50151069
50151070
50151071
50151072
50151073
50151074
50156504
50156505
50156506
50156507
50156508
50156509
50156511
50156512
50156513
50156514
50156515
50156516
50156517
50156518
50156519
50156520
50156521
50157816
50157817
50157818
50157819
50157820
50157821
50157822
50157823
50157824
50157825
50157826
50157827
50158064
50158065
50158066
50158067
50158068
50158069
50158070
50158071
50158072
50158073
50158074
50158075
50158076
50158077
50158078
50170573
50170576
50170578
50170582
50205096
50205097
50205098
50205099
50205100
50205101
50205102
50205103
50205104
50205105
50205106
50205107
50205108
50205109
50205110
50205111
50205112
50205113
50205114
50205115
50205116
50214922
50214923
50214929
50214944
50215709
50215710
50215711
50215712
50215713
50215714
50215716
50215718
50215719
50226465
50228076
50228077
50228078
50228079
50228080
50228081
50241192
50249150
50249193
50249195
50252076
50252077
50252078
50252079
50252080
50252123
50252124
50252125
50252126
50252127
50252173
50252174
50252175
50252176
50252177
50252215
50252216
50252218
50252274
50252276
50252277
50252328
50252329
50252330
50252331
50252332
50252384
50252385
50252387
50252450
50252451
50253371
50258751
50258752
50258791
50321176
50321177
50321178
50321180
50321182
50321183
50321184
50321185
50321186
50321187
50321188
50321189
50321191
50321193
50321194
50321195
50321196
50321197
50321198
50321199
50321200
50321201
50321202
50321203
50321204
50321205
50321206
50321207
50321208
50321209
50321210
50321211
50321212
50321215
50321217
50321218
50321220
50321221
50323011
50323012
50323013
50323014
50323015
50323016
50323017
50323018
50323019
50323020
50323021
50323022
50323023
50323024
50323025
50323026
50323027
50323028
50323029
50323030
50323031
50323032
50323033
50323034
50323035
50323036
50323037
50323038
50323039
50329702
50329703
50329704
50329705
50329706
50329707
50334048
50334054
50334055
50334058
50336929
50336930
50336931
50336932
50336933
50336935
50336937
50336997
50338324
50340660
50340661
50340662
50340663
50340664
50340665
50345227
50345228
50345229
50348401
50348405
50348407
50348411
50348414
50348415
50367916
50372078
50372079
50372080
50372081
50372082
50372083
50372084
50372085
50372086
50372087
50372088
50372089
50372090
50372091
50372092
50372093
50372094
50372095
50372096
50372097
50372098
50372099
50372100
50372101
50372102
50372103
50372104
50373224
50373225
50373226
50373227
50373228
50373229
50373230
50373231
50373232
50373233
50373234
50373235
50373236
50373237
50373238
50373239
50373240
50373241
50373242
50373243
50373244
50376852
50377338
50377349
50377350
50377409
50377410
50377411
50377413
50377414
50377415
50377416
50377417
50377418
50377419
50377420
50377424
50377425
50377426
50377427
50377428
50398065
50403732
50403735
50403736
50408093
50410187
50410188
50432188
50440220
50440233
8885
8903
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.3
1.7
50321217
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(7 Cplx.)
BDB
pKi= -6.5
2
6.6
2.1
50334048
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(7 Cplx.)
BDB
pKi= -7.2
3
7.5
2.0
50373244
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(16 Cplx.)
BDB
pKi= -6.2
4
6.4
2.3
50069074
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(17 Cplx.)
BDB
pKi= -8.0
5
6.7
2.3
50063121
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -7.1
6
8.4
2.1
50321195
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(4 Cplx.)
BDB
pKi= -6.9
7
7.8
0.7
50094569
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(11 Cplx.)
BDB
pKi= -7.9
8
7.2
1.9
50077109
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(14 Cplx.)
BDB
pKi= -7.9
9
7.0
2.5
50158066
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(12 Cplx.)
BDB
pKi= -7.2
10
6.2
1.8
50158069
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(13 Cplx.)
BDB
pKi= -7.2
11
7.1
1.9
50131272
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(8 Cplx.)
BDB
pKd= -8.9
12
7.8
2.3
50063125
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(14 Cplx.)
BDB
pKi= -7.2
13
5.1
1.6
50103254
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(5 Cplx.)
BDB
pKi= -5.5
14
5.9
2.1
18555
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -6.1
15
8.7
2.4
50321200
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(7 Cplx.)
BDB
pKi= -6.4
16
5.6
2.2
50067668
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(10 Cplx.)
BDB
pKi= -5.6
17
6.2
1.7
50063119
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(17 Cplx.)
BDB
pKi= -6.1
18
7.5
2.1
50077113
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(10 Cplx.)
BDB
pKi= -7.5
19
7.0
1.6
50241192
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -6.2
20
4.9
1.8
50440220
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(7 Cplx.)
BDB
pKi= -6.6
21
6.7
1.9
50049496
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(8 Cplx.)
BDB
pKi= -5.5
22
6.4
1.5
18554
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -6.8
23
6.3
2.1
50077114
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(13 Cplx.)
BDB
pKi= -7.7
24
6.2
2.3
18209
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(18 Cplx.)
BDB
pKi= -8.4
25
7.6
2.3
50077096
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(18 Cplx.)
BDB
pKi= -7.8
26
8.8
0.3
18663
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(11 Cplx.)
BDB
pKi= -8.2
27
6.8
2.2
50205114
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(9 Cplx.)
BDB
pKi= -8.9
28
6.2
2.1
18556
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -6.3
29
6.2
1.9
50215718
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(13 Cplx.)
BDB
pKi= -7.4
30
6.8
1.9
50062417
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(17 Cplx.)
BDB
pKi= -5.6
31
6.6
2.0
50049505
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(11 Cplx.)
BDB
pKi= -5.6
32
7.5
2.1
50156512
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -6.2
33
4.9
2.2
50323018
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(14 Cplx.)
BDB
pKi= -7.9
34
4.8
1.8
50440233
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(7 Cplx.)
BDB
pKi= -5.6
35
6.8
1.9
50334055
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -6.0
36
6.4
1.8
50252079
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(9 Cplx.)
BDB
pKi= -5.6
37
6.6
2.2
50205106
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(18 Cplx.)
BDB
pKi= -7.6
38
4.5
2.1
50323013
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(11 Cplx.)
BDB
pKi= -7.3
39
7.2
2.0
50205108
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(20 Cplx.)
BDB
pKi= -7.7
40
7.8
1.7
50340664
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(12 Cplx.)
BDB
pKi= -7.0
41
5.8
1.9
50072716
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(7 Cplx.)
BDB
pKi= -6.2
42
6.6
2.2
50373238
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(16 Cplx.)
BDB
pKi= -5.9
43
6.4
1.8
50252174
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -5.5
44
9.6
0.3
18665
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(10 Cplx.)
BDB
pKi= -8.4
45
7.4
1.8
18170
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(20 Cplx.)
BDB
pKi= -8.3
46
7.8
2.2
50072701
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(15 Cplx.)
BDB
pKi= -6.2
47
7.9
2.5
50086527
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -6.5
48
7.0
2.5
50086529
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -6.5
49
6.5
2.1
50069077
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -7.5
50
5.0
2.0
50323026
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(14 Cplx.)
BDB
pKi= -6.8
51
7.0
1.6
18182
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(17 Cplx.)
BDB
pKi= -8.5
52
5.9
2.2
50076715
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(8 Cplx.)
BDB
pKi= -7.3
53
7.7
1.9
50340661
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(16 Cplx.)
BDB
pKi= -5.6
54
6.6
2.2
18557
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -7.5
55
6.6
2.0
50252277
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(6 Cplx.)
BDB
pKi= -6.6
56
7.2
1.4
50373241
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -7.6
57
7.2
1.7
50069081
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -7.2
58
6.6
2.2
50069072
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(18 Cplx.)
BDB
pKi= -8.0
59
5.2
1.9
50158073
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(6 Cplx.)
BDB
pKi= -7.2
60
6.5
1.8
18516
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(14 Cplx.)
BDB
pKi= -5.8
61
5.7
2.2
50215710
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(12 Cplx.)
BDB
pKi= -7.7
62
5.8
1.9
50063116
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(14 Cplx.)
BDB
pKi= -7.4
63
6.4
1.8
50156516
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.2
64
7.3
2.3
18178
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(15 Cplx.)
BDB
pKi= -9.0
65
6.3
2.1
18539
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(14 Cplx.)
BDB
pKi= -7.4
66
6.7
2.5
50049490
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P1
:
(8 Cplx.)
BDB
pKi= -5.7
67
7.5
0.5
8903
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(14 Cplx.)
BDB
pKi= -8.0
68
6.5
2.4
18222
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -7.8
69
7.0
2.2
50372087
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -7.8
70
6.3
1.9
50373237
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -7.3
71
7.2
1.9
18172
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(14 Cplx.)
BDB
pKi= -8.3
72
5.2
2.2
50063118
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -7.1
73
8.3
1.9
50340663
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(13 Cplx.)
BDB
pKi= -5.8
74
7.8
1.8
50156504
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(13 Cplx.)
BDB
pKi= -8.0
75
5.8
1.9
50156517
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(12 Cplx.)
BDB
pKi= -5.9
76
7.6
1.2
18176
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(16 Cplx.)
BDB
pKi= -8.8
77
5.8
2.0
18563
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(11 Cplx.)
BDB
pKi= -6.2
78
6.9
1.8
50113776
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(9 Cplx.)
BDB
pKi= -6.2
79
6.1
2.1
50372093
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(11 Cplx.)
BDB
pKi= -6.4
80
7.3
2.4
18196
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -7.3
81
7.6
1.3
29323
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(13 Cplx.)
BDB
pKi= -9.5
82
7.5
1.7
18532
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(15 Cplx.)
BDB
pKi= -6.7
83
6.3
2.2
50076306
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(13 Cplx.)
BDB
pKi= -6.3
84
7.4
1.0
18185
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(16 Cplx.)
BDB
pKi= -8.6
85
7.1
1.7
50067670
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P1
:
(9 Cplx.)
BDB
pKi= -6.1
86
7.9
1.0
18177
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(19 Cplx.)
BDB
pKi= -9.0
87
5.8
2.4
18529
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(12 Cplx.)
BDB
pKi= -6.8
88
6.9
1.9
50340665
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(14 Cplx.)
BDB
pKi= -6.0
89
7.2
2.4
18613
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(9 Cplx.)
BDB
pKi= -8.0
90
5.9
2.0
18550
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -6.0
91
7.4
1.7
50340662
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(13 Cplx.)
BDB
pKi= -6.5
92
7.4
2.4
18220
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(13 Cplx.)
BDB
pKi= -7.0
93
6.7
2.5
50049503
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -5.8
94
6.1
2.4
50228078
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(7 Cplx.)
BDB
pKi= -6.5
95
7.2
2.0
50373243
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -6.6
96
6.3
2.2
50049489
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -5.2
97
6.7
2.3
50049513
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -5.8
98
7.1
1.8
18599
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -8.5
99
8.1
1.3
18525
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(10 Cplx.)
BDB
pKi= -7.1
100
6.7
1.7
50072713
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(14 Cplx.)
BDB
pKi= -5.8
101
6.5
2.4
50373229
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(14 Cplx.)
BDB
pKi= -8.0
102
7.2
1.1
50345227
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(9 Cplx.)
BDB
pKi= -5.7
103
6.7
2.0
50205104
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(10 Cplx.)
BDB
pKi= -8.4
104
7.2
1.6
18188
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(15 Cplx.)
BDB
pKi= -9.3
105
6.3
1.9
50062406
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(14 Cplx.)
BDB
pKi= -5.8
106
7.5
1.7
50252328
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(9 Cplx.)
BDB
pKi= -6.9
107
6.8
2.4
18535
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(14 Cplx.)
BDB
pKi= -8.1
108
5.9
2.0
50215712
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.5
109
7.6
2.1
50077100
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(9 Cplx.)
BDB
pKi= -7.7
110
6.2
1.8
50372084
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(9 Cplx.)
BDB
pKi= -7.8
111
8.1
2.5
50377413
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -9.0
112
7.1
2.2
29321
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(15 Cplx.)
BDB
pKi= -9.7
113
7.4
1.7
50252276
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(7 Cplx.)
BDB
pKi= -6.9
114
6.3
2.2
18543
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(13 Cplx.)
BDB
pKi= -7.3
115
6.0
2.3
50076720
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.8
116
7.2
2.3
50373225
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -8.1
117
6.8
2.2
50049494
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(9 Cplx.)
BDB
pKi= -5.8
118
6.3
1.9
50348405
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(7 Cplx.)
BDB
pKi= -6.0
119
7.1
1.2
50099679
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(16 Cplx.)
BDB
pKi= -7.8
120
6.8
2.1
50329704
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(5 Cplx.)
BDB
pKi= -6.0
121
6.3
2.3
50372092
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(10 Cplx.)
BDB
pKi= -7.4
122
7.2
2.4
50334054
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(13 Cplx.)
BDB
pKi= -6.0
123
5.6
2.2
18547
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(10 Cplx.)
BDB
pKi= -7.0
124
6.7
2.4
18184
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(19 Cplx.)
BDB
pKi= -9.0
125
6.8
1.6
50131271
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(7 Cplx.)
BDB
pKd= -8.9
126
6.8
1.6
50113781
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(11 Cplx.)
BDB
pKi= -6.7
127
10.9
2.5
50321186
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(7 Cplx.)
BDB
pKi= -6.4
128
7.2
1.8
18614
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(13 Cplx.)
BDB
pKi= -7.9
129
6.6
2.3
50372094
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(9 Cplx.)
BDB
pKi= -5.4
130
6.8
1.6
18519
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(11 Cplx.)
BDB
pKi= -7.4
131
5.6
2.4
50377349
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -5.8
132
5.3
1.8
50372104
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(8 Cplx.)
BDB
pKi= -7.7
133
7.3
2.4
50372096
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(15 Cplx.)
BDB
pKi= -6.0
134
7.5
2.2
18595
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(11 Cplx.)
BDB
pKi= -7.2
135
8.1
2.3
18594
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -7.1
136
3.8
1.9
50062405
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(3 Cplx.)
BDB
pKi= -6.1
137
6.7
2.5
50069073
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(14 Cplx.)
BDB
pKi= -7.1
138
7.1
1.7
50336930
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(8 Cplx.)
BDB
pKi= -5.8
139
6.9
1.8
50156508
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(14 Cplx.)
BDB
pKi= -7.4
140
6.7
2.2
50205112
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(17 Cplx.)
BDB
pKi= -8.1
141
5.2
1.6
50323019
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(10 Cplx.)
BDB
pKi= -7.1
142
6.3
1.5
50062407
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(14 Cplx.)
BDB
pKi= -5.7
143
6.9
2.0
18517
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(15 Cplx.)
BDB
pKi= -7.1
144
8.0
2.3
50157827
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -8.0
145
6.6
2.3
50076305
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(16 Cplx.)
BDB
pKi= -6.2
146
8.9
2.2
50253371
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(5 Cplx.)
BDB
pKi= -5.8
147
7.6
1.9
18583
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -7.5
148
6.4
2.1
50348401
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(7 Cplx.)
BDB
pKi= -6.0
149
6.3
1.5
29328
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(8 Cplx.)
BDB
pKi= -7.8
150
7.1
0.5
19190
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(10 Cplx.)
BDB
pKi= -5.6
151
6.9
2.2
29322
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(17 Cplx.)
BDB
pKi= -8.6
152
7.0
1.9
50372102
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(18 Cplx.)
BDB
pKi= -7.3
153
6.8
2.4
50063126
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(14 Cplx.)
BDB
pKi= -7.1
154
6.3
2.0
18546
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -6.9
155
7.6
1.9
18596
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(11 Cplx.)
BDB
pKi= -7.7
156
5.2
2.5
50323021
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(9 Cplx.)
BDB
pKi= -7.4
157
5.8
1.3
50252123
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(8 Cplx.)
BDB
pKi= -6.3
158
6.3
1.5
50170576
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(4 Cplx.)
BDB
pKi= -5.9
159
7.4
1.8
50156518
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(10 Cplx.)
BDB
pKi= -7.0
160
7.7
2.2
50069071
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(20 Cplx.)
BDB
pKi= -8.3
161
6.4
2.4
18210
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -8.3
162
6.8
1.9
50373227
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(17 Cplx.)
BDB
pKi= -8.5
163
6.8
1.7
50432188
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(7 Cplx.)
BDB
pKi= -5.7
164
6.0
1.9
50329706
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(4 Cplx.)
BDB
pKi= -6.0
165
3.7
2.4
50323025
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -8.0
166
7.7
2.3
50072709
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(18 Cplx.)
BDB
pKi= -6.3
167
6.8
2.1
50063113
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(19 Cplx.)
BDB
pKi= -7.3
168
5.1
1.6
50103247
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(7 Cplx.)
BDB
pKi= -5.5
169
6.9
2.2
29326
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(19 Cplx.)
BDB
pKi= -8.7
170
7.1
2.5
50086535
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -7.0
171
5.7
1.5
50124593
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(12 Cplx.)
BDB
pKi= -5.6
172
6.9
2.1
50373232
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(14 Cplx.)
BDB
pKi= -7.6
173
7.4
2.2
50086509
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(7 Cplx.)
BDB
pKi= -7.1
174
6.3
2.4
50069059
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(16 Cplx.)
BDB
pKi= -7.1
175
7.3
2.4
18162
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -9.0
176
6.4
1.9
50062411
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(16 Cplx.)
BDB
pKi= -5.6
177
7.4
1.9
50069069
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(17 Cplx.)
BDB
pKi= -8.4
178
7.7
1.5
50336933
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(9 Cplx.)
BDB
pKi= -6.4
179
6.1
2.5
50062413
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -5.5
180
6.9
1.6
18168
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(10 Cplx.)
BDB
pKi= -8.7
181
7.6
1.3
18183
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(18 Cplx.)
BDB
pKi= -9.2
182
5.7
2.1
50228076
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(6 Cplx.)
BDB
pKi= -6.2
183
5.9
2.0
50067684
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -6.1
184
7.3
1.9
50323011
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(16 Cplx.)
BDB
pKi= -7.7
185
7.6
1.5
50069060
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -7.2
186
7.5
1.4
50252450
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(9 Cplx.)
BDB
pKi= -6.5
187
7.1
2.4
18212
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.6
188
7.2
2.2
50372095
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(18 Cplx.)
BDB
pKi= -5.9
189
6.1
1.8
50062414
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(16 Cplx.)
BDB
pKi= -5.7
190
7.2
2.4
50077110
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(17 Cplx.)
BDB
pKi= -7.2
191
6.8
2.1
50063101
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.2
192
5.5
2.2
29327
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(7 Cplx.)
BDB
pKi= -7.7
193
6.2
2.2
50158072
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(13 Cplx.)
BDB
pKi= -7.5
194
6.6
2.1
18575
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(14 Cplx.)
BDB
pKi= -7.3
195
6.8
1.7
50348414
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(10 Cplx.)
BDB
pKi= -5.6
196
6.7
1.6
50252126
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(7 Cplx.)
BDB
pKi= -5.7
197
6.7
0.9
29319
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(11 Cplx.)
BDB
pKi= -9.5
198
6.4
2.4
50076298
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(15 Cplx.)
BDB
pKi= -6.0
199
6.3
2.4
50076297
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -5.9
200
6.1
1.8
18527
2AX7
(99%)
+
FHM_B_2
QMean=0.759
P1
:
(14 Cplx.)
BDB
pKi= -7.3
201
6.4
1.7
18530
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(15 Cplx.)
BDB
pKi= -8.4
202
7.0
1.7
50252274
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(6 Cplx.)
BDB
pKi= -5.9
203
4.3
1.9
18551
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(4 Cplx.)
BDB
pKi= -6.0
204
9.6
1.8
50336997
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(12 Cplx.)
BDB
pKi= -8.2
205
7.8
1.5
29320
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(14 Cplx.)
BDB
pKi= -9.5
206
6.3
2.4
50049502
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -5.7
207
6.2
2.0
50205110
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(17 Cplx.)
BDB
pKi= -8.1
208
6.8
1.1
18187
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(15 Cplx.)
BDB
pKi= -7.6
209
6.7
2.2
50049510
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -5.8
210
7.2
1.7
50336935
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(9 Cplx.)
BDB
pKi= -5.6
211
6.8
2.1
18186
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(10 Cplx.)
BDB
pKi= -8.7
212
7.2
1.7
50069070
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(13 Cplx.)
BDB
pKi= -8.0
213
7.4
2.3
50157819
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(17 Cplx.)
BDB
pKi= -6.9
214
6.4
1.9
50170578
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P1
:
(4 Cplx.)
BDB
pKi= -5.5
215
6.7
1.6
18533
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(19 Cplx.)
BDB
pKi= -8.1
216
6.5
1.9
50069061
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(8 Cplx.)
BDB
pKi= -7.1
217
7.4
1.7
18586
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(12 Cplx.)
BDB
pKi= -6.6
218
6.0
1.9
50124606
2IHQ
(99%)
+
LG7_B_2
QMean=0.721
P1
:
(11 Cplx.)
BDB
pKi= -6.6
219
7.0
2.0
50124597
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P1
:
(9 Cplx.)
BDB
pKi= -7.0
220
7.2
2.4
50377425
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -8.0
221
7.0
2.0
50069067
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(15 Cplx.)
BDB
pKi= -7.0
222
6.4
1.9
50062423
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(16 Cplx.)
BDB
pKi= -5.2
223
8.1
1.6
50329703
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(5 Cplx.)
BDB
pKi= -5.7
224
6.0
2.3
50158067
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(12 Cplx.)
BDB
pKi= -7.8
225
7.1
1.5
18534
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(18 Cplx.)
BDB
pKi= -8.2
226
6.3
2.5
50158065
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(14 Cplx.)
BDB
pKi= -7.2
227
7.2
2.3
50063123
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(19 Cplx.)
BDB
pKi= -7.2
228
6.3
1.4
50072714
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(15 Cplx.)
BDB
pKi= -5.7
229
6.3
2.2
50372080
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -7.8
230
7.4
1.7
50252387
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(8 Cplx.)
BDB
pKi= -7.0
231
7.6
2.2
50377414
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(15 Cplx.)
BDB
pKi= -8.9
232
9.6
2.1
50321206
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(5 Cplx.)
BDB
pKi= -5.8
233
6.1
2.1
50228081
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -6.2
234
7.1
2.0
18167
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -8.5
235
6.4
1.3
50252332
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(6 Cplx.)
BDB
pKi= -7.1
236
6.5
1.7
18587
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(8 Cplx.)
BDB
pKi= -7.5
237
6.2
2.1
50076309
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(16 Cplx.)
BDB
pKi= -6.1
238
7.1
1.0
18678
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(8 Cplx.)
BDB
pKi= -5.4
239
6.4
2.3
50205103
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(17 Cplx.)
BDB
pKi= -8.4
240
7.7
1.8
50373231
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(18 Cplx.)
BDB
pKi= -8.3
241
6.6
1.4
18179
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(20 Cplx.)
BDB
pKi= -8.4
242
6.4
2.1
18549
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(13 Cplx.)
BDB
pKi= -6.8
243
6.6
2.4
50076714
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(18 Cplx.)
BDB
pKi= -7.0
244
5.8
1.6
50156519
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(11 Cplx.)
BDB
pKi= -7.4
245
8.0
0.9
18189
1T79
(100%)
+
DHT_A_3
QMean=0.748
P1
:
(18 Cplx.)
BDB
pKi= -8.2
246
5.0
2.0
50157821
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(7 Cplx.)
BDB
pKi= -6.8
247
6.2
2.3
50062421
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(13 Cplx.)
BDB
pKi= -5.6
248
6.1
2.4
18560
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(19 Cplx.)
BDB
pKi= -7.7
249
7.3
2.5
50063112
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -6.7
250
5.3
1.8
50156514
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(11 Cplx.)
BDB
pKi= -7.2
251
7.2
0.9
50252331
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(6 Cplx.)
BDB
pKi= -6.8
252
7.2
2.4
50373236
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -8.1
253
6.5
1.5
18574
2AX7
(99%)
+
FHM_B_2
QMean=0.759
P1
:
(18 Cplx.)
BDB
pKi= -7.2
254
7.2
2.2
50373234
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(18 Cplx.)
BDB
pKi= -7.2
255
6.7
2.4
18573
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(14 Cplx.)
BDB
pKi= -7.1
256
7.7
2.3
50077104
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(17 Cplx.)
BDB
pKi= -8.7
257
5.8
1.9
50323017
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(15 Cplx.)
BDB
pKi= -8.4
258
6.9
2.4
18593
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(13 Cplx.)
BDB
pKi= -8.2
259
7.3
1.7
50252329
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(8 Cplx.)
BDB
pKi= -6.7
260
6.6
2.3
18169
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -8.8
261
4.9
1.8
50323030
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(12 Cplx.)
BDB
pKi= -7.3
262
6.6
0.5
50006109
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(16 Cplx.)
BDB
pKi= -7.6
263
5.0
2.4
50398065
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(6 Cplx.)
BDB
pKi= -5.9
264
8.4
0.6
50367916
1XOW
(100%)
+
R18_C_3
QMean=0.769
P1
:
(19 Cplx.)
BDB
pKd= -9.1
265
6.9
2.1
18582
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -7.9
266
6.3
1.3
50252124
3RLJ
(100%)
+
RLJ_A_2
QMean=0.755
P1
:
(5 Cplx.)
BDB
pKi= -6.5
267
6.9
1.8
50323016
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(14 Cplx.)
BDB
pKi= -7.4
268
6.7
0.8
18699
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(16 Cplx.)
BDB
pKi= -9.5
269
4.1
2.5
50323023
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(12 Cplx.)
BDB
pKi= -8.2
270
6.1
1.9
50205105
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(8 Cplx.)
BDB
pKi= -7.5
271
7.2
1.3
50336937
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(9 Cplx.)
BDB
pKi= -7.2
272
5.9
1.8
50124611
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(13 Cplx.)
BDB
pKi= -5.6
273
6.7
1.7
50348415
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(11 Cplx.)
BDB
pKi= -6.2
274
6.9
2.0
50258791
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(18 Cplx.)
BDB
pKi= -8.3
275
4.9
2.3
50323015
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(12 Cplx.)
BDB
pKi= -7.9
276
6.7
2.4
50049493
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -5.8
277
6.3
0.8
50215709
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(11 Cplx.)
BDB
pKi= -9.6
278
6.5
1.6
18577
2AX7
(99%)
+
FHM_B_2
QMean=0.759
P1
:
(14 Cplx.)
BDB
pKi= -7.3
279
5.9
1.8
50063107
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(14 Cplx.)
BDB
pKi= -6.2
280
6.9
2.1
50205098
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(18 Cplx.)
BDB
pKi= -8.3
281
5.1
1.8
50069078
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(11 Cplx.)
BDB
pKi= -6.8
282
6.5
1.8
50062415
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(16 Cplx.)
BDB
pKi= -5.8
283
5.9
2.0
50156521
3RLJ
(100%)
+
RLJ_A_2
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -8.0
284
8.8
2.5
50321208
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(7 Cplx.)
BDB
pKi= -7.2
285
7.1
2.1
50336929
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(8 Cplx.)
BDB
pKi= -5.6
286
7.3
2.3
18165
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(18 Cplx.)
BDB
pKi= -8.8
287
6.9
1.8
50205096
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P1
:
(17 Cplx.)
BDB
pKi= -8.8
288
7.6
2.3
50157824
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(15 Cplx.)
BDB
pKi= -8.5
289
7.7
2.0
18166
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(16 Cplx.)
BDB
pKi= -8.4
290
9.7
0.9
26261
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(10 Cplx.)
BDB
pKi= -8.8
291
6.1
2.2
18528
2AX7
(99%)
+
FHM_B_2
QMean=0.759
P1
:
(14 Cplx.)
BDB
pKi= -7.2
292
6.3
1.5
50049501
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(5 Cplx.)
BDB
pKi= -5.2
293
7.4
1.6
50336932
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(9 Cplx.)
BDB
pKi= -6.3
294
6.5
2.4
50063111
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(14 Cplx.)
BDB
pKi= -7.3
295
6.8
2.1
50373230
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -5.6
296
6.8
1.9
18518
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -7.7
297
6.4
1.8
50069084
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(11 Cplx.)
BDB
pKi= -6.7
298
7.0
2.2
50373239
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -7.7
299
5.8
2.5
18193
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -8.9
300
7.7
2.3
50063095
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(14 Cplx.)
BDB
pKi= -7.0
301
8.4
1.6
18685
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(7 Cplx.)
BDB
pKi= -8.8
302
6.7
2.4
50049509
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -6.1
303
6.3
1.9
50156520
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(15 Cplx.)
BDB
pKi= -6.6
304
6.4
2.1
18548
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P1
:
(13 Cplx.)
BDB
pKi= -6.9
305
9.5
1.6
50321218
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(8 Cplx.)
BDB
pKi= -5.9
306
6.9
2.5
18589
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(15 Cplx.)
BDB
pKi= -8.6
307
6.0
1.9
50067671
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(10 Cplx.)
BDB
pKi= -6.1
308
6.7
2.1
50063100
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(10 Cplx.)
BDB
pKi= -8.0
309
6.3
2.1
50063124
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -6.2
310
7.3
0.6
50067678
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(8 Cplx.)
BDB
pKi= -8.5
311
8.0
1.4
50252218
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(6 Cplx.)
BDB
pKi= -5.7
312
6.5
1.7
50072699
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(17 Cplx.)
BDB
pKi= -6.1
313
7.3
1.8
18164
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(17 Cplx.)
BDB
pKi= -8.8
314
7.3
2.3
50158075
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(16 Cplx.)
BDB
pKi= -9.2
315
6.6
1.6
50340660
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P1
:
(17 Cplx.)
BDB
pKi= -6.4
316
6.9
2.1
18531
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(16 Cplx.)
BDB
pKi= -7.2
317
6.1
2.4
50069083
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(12 Cplx.)
BDB
pKi= -8.0
318
7.2
1.5
50113777
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(9 Cplx.)
BDB
pKi= -5.9
319
7.0
1.1
50073060
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(11 Cplx.)
BDB
pKi= -8.4
320
5.9
1.8
50249193
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(7 Cplx.)
BDB
pKi= -5.1
321
7.6
1.9
50252330
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(6 Cplx.)
BDB
pKi= -6.7
322
6.7
1.7
50113782
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P1
:
(7 Cplx.)
BDB
pKi= -7.0
323
6.5
1.3
50252125
3RLJ
(100%)
+
RLJ_A_2
QMean=0.755
P1
:
(6 Cplx.)
BDB
pKi= -6.2
324
6.4
1.8
50062416
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P1
:
(16 Cplx.)
BDB
pKi= -5.8
325
5.6
0.8
50228080
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P1
:
(12 Cplx.)
BDB
pKi= -7.4
326
6.1
2.0
50376852
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(9 Cplx.)
BDB
pKi= -6.0
327
8.0
1.6
50113778
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(10 Cplx.)
BDB
pKi= -7.3
328
5.9
1.8
50156509
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(13 Cplx.)
BDB
pKi= -6.9
329
6.0
2.4
50103246
3B5R
(100%)
+
B5R_A_2
QMean=0.740
P1
:
(15 Cplx.)
BDB
pKi= -5.6
330
7.1
2.2
18174
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(18 Cplx.)
BDB
pKi= -8.4
331
6.4
2.0
50131268
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(5 Cplx.)
BDB
pKd= -8.9
332
6.3
2.5
50063106
3V49
(100%)
+
PK0_A_3
QMean=0.755
P1
:
(11 Cplx.)
BDB
pKi= -6.8
333
6.0
2.4
18558
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(7 Cplx.)
BDB
pKi= -6.6
334
7.8
1.7
50252176
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(6 Cplx.)
BDB
pKi= -7.0
335
6.1
1.1
50345229
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(5 Cplx.)
BDB
pKi= -5.7
336
7.3
1.6
50336931
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(9 Cplx.)
BDB
pKi= -6.2
337
6.9
1.9
18520
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P1
:
(17 Cplx.)
BDB
pKi= -7.2
338
5.8
2.0
18564
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(11 Cplx.)
BDB
pKi= -6.2
339
6.9
1.9
50131269
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(8 Cplx.)
BDB
pKd= -8.9
340
6.5
1.0
50099680
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P1
:
(14 Cplx.)
BDB
pKi= -7.1
341
7.1
2.5
29325
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(16 Cplx.)
BDB
pKi= -8.0
342
7.2
2.3
50329707
3B65
(100%)
+
3B6_A_2
QMean=0.754
P1
:
(7 Cplx.)
BDB
pKi= -6.0
343
7.0
1.5
29324
2AMB
(100%)
+
17H_A_3
QMean=0.740
P1
:
(17 Cplx.)
BDB
pKi= -9.2
344
6.7
2.4
50049492
3B67
(100%)
+
B67_A_2
QMean=0.741
P1
:
(8 Cplx.)
BDB
pKi= -5.6
345
8.6
1.4
50321204
1Z95
(99%)
+
198_C_3
QMean=0.779
P1
:
(7 Cplx.)
BDB
pKi= -5.3
346
6.6
1.5
50345228
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(5 Cplx.)
BDB
pKi= -5.7
347
5.8
1.6
50151074
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P1
:
(8 Cplx.)
BDB
pKi= -8.1
348
7.2
2.2
18171
3B68
(100%)
+
B68_A_2
QMean=0.751
P1
:
(20 Cplx.)
BDB
pKi= -8.5
349
6.8
1.4
50252078
3B66
(100%)
+
B66_A_2
QMean=0.746
P1
:
(11 Cplx.)
BDB
pKi= -5.2
350
6.7
0.9
21725
3ZQT
(100%)
+
TES_A_2
QMean=0.761
P1
:
(10 Cplx.)
BDB
pKi= -6.5
351
5.5
2.4
18605
3B65
(100%)
+
3B6_A_2
QMean=0.754
P2
:
(3 Cplx.)
BDB
pKi= -9.4
352
7.4
1.4
50252127
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(6 Cplx.)
BDB
pKi= -5.4
353
6.4
1.7
50252385
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(6 Cplx.)
BDB
pKi= -7.0
354
7.1
1.6
50329705
3B68
(100%)
+
B68_A_2
QMean=0.751
P2
:
(3 Cplx.)
BDB
pKi= -6.0
355
5.9
2.4
50049488
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(4 Cplx.)
BDB
pKi= -5.2
356
7.0
1.4
18175
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(7 Cplx.)
BDB
pKi= -8.7
357
6.8
2.2
50170573
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(3 Cplx.)
BDB
pKi= -5.8
358
6.6
2.0
50133144
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P2
:
(5 Cplx.)
BDB
pKi= -6.4
359
6.4
1.8
50069065
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(8 Cplx.)
BDB
pKi= -8.2
360
6.8
1.8
18163
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(7 Cplx.)
BDB
pKi= -7.6
361
7.4
1.6
50062433
3B67
(100%)
+
B67_A_2
QMean=0.741
P2
:
(7 Cplx.)
BDB
pKi= -5.9
362
7.9
2.0
50072697
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P2
:
(3 Cplx.)
BDB
pKi= -5.9
363
6.1
1.4
50205101
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -8.1
364
6.6
2.4
50372090
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(6 Cplx.)
BDB
pKi= -9.0
365
5.9
1.7
18545
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(5 Cplx.)
BDB
pKi= -7.2
366
7.7
1.4
50252077
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(5 Cplx.)
BDB
pKi= -5.3
367
4.7
1.6
50252175
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(3 Cplx.)
BDB
pKi= -6.3
368
5.5
1.4
50372091
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(4 Cplx.)
BDB
pKi= -7.8
369
5.0
1.6
50348411
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(3 Cplx.)
BDB
pKi= -6.0
370
8.3
0.0
18161
1T79
(100%)
+
DHT_A_3
QMean=0.748
P2
:
(7 Cplx.)
BDB
pKi= -9.1
371
5.9
1.2
50252451
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(3 Cplx.)
BDB
pKi= -6.4
372
7.1
2.1
50076308
3B67
(100%)
+
B67_A_2
QMean=0.741
P2
:
(4 Cplx.)
BDB
pKi= -6.2
373
6.0
1.9
50157826
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(4 Cplx.)
BDB
pKi= -8.5
374
6.9
2.5
18610
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(3 Cplx.)
BDB
pKi= -8.0
375
7.0
1.8
18173
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(6 Cplx.)
BDB
pKi= -8.6
376
5.0
2.1
50214944
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(7 Cplx.)
BDB
pKi= -6.2
377
5.6
2.4
50323036
3B68
(100%)
+
B68_A_2
QMean=0.751
P2
:
(6 Cplx.)
BDB
pKi= -7.7
378
4.2
2.2
18627
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(3 Cplx.)
BDB
pKi= -8.3
379
5.9
1.6
50323032
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(3 Cplx.)
BDB
pKi= -7.9
380
6.3
1.6
50133136
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(5 Cplx.)
BDB
pKi= -5.8
381
8.1
1.9
50072705
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P2
:
(3 Cplx.)
BDB
pKi= -6.0
382
6.5
2.0
50377350
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -6.1
383
6.5
1.9
50205115
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(9 Cplx.)
BDB
pKi= -8.1
384
6.7
2.2
18598
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -7.9
385
6.0
2.3
50372085
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(6 Cplx.)
BDB
pKi= -7.9
386
5.4
1.5
50228077
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(8 Cplx.)
BDB
pKi= -5.1
387
5.9
1.8
50063110
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -8.0
388
6.5
2.4
50069085
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -7.0
389
5.8
1.9
50063096
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(5 Cplx.)
BDB
pKi= -7.8
390
8.4
2.1
50072704
3B67
(100%)
+
B67_A_2
QMean=0.741
P2
:
(5 Cplx.)
BDB
pKi= -6.1
391
8.0
1.9
50252216
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(3 Cplx.)
BDB
pKi= -6.1
392
5.4
2.4
50323037
3B68
(100%)
+
B68_A_2
QMean=0.751
P2
:
(7 Cplx.)
BDB
pKi= -8.0
393
5.4
1.6
50372089
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(5 Cplx.)
BDB
pKi= -8.5
394
7.0
1.9
29318
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(9 Cplx.)
BDB
pKi= -9.1
395
6.3
1.3
50252076
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(3 Cplx.)
BDB
pKi= -5.5
396
5.9
1.7
50372081
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -7.7
397
5.1
2.0
50076302
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(4 Cplx.)
BDB
pKi= -6.0
398
5.1
2.2
50156507
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P2
:
(6 Cplx.)
BDB
pKi= -6.6
399
7.2
1.6
50077111
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(8 Cplx.)
BDB
pKi= -8.0
400
6.1
1.8
50215714
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(7 Cplx.)
BDB
pKi= -7.9
401
6.6
2.2
50372083
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(7 Cplx.)
BDB
pKi= -7.6
402
6.2
2.2
50049515
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P2
:
(4 Cplx.)
BDB
pKi= -9.0
403
5.4
1.9
50214922
2NW4
(99%)
+
8NH_A_2
QMean=0.711
P2
:
(6 Cplx.)
BDB
pKi= -6.0
404
6.9
2.1
50205113
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(8 Cplx.)
BDB
pKi= -8.5
405
5.4
1.5
50158071
3B68
(100%)
+
B68_A_2
QMean=0.751
P2
:
(5 Cplx.)
BDB
pKi= -7.8
406
5.8
1.6
50373233
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -7.2
407
5.5
1.5
50157825
3B68
(100%)
+
B68_A_2
QMean=0.751
P2
:
(5 Cplx.)
BDB
pKi= -8.2
408
6.6
2.4
50372101
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(8 Cplx.)
BDB
pKi= -6.7
409
6.7
0.9
50226465
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P2
:
(6 Cplx.)
BDB
pKi= -6.6
410
5.5
1.2
50124596
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(3 Cplx.)
BDB
pKi= -5.7
411
5.5
1.5
50323033
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(3 Cplx.)
BDB
pKi= -7.5
412
6.4
1.9
18522
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(4 Cplx.)
BDB
pKi= -8.8
413
5.2
2.4
50157817
3B65
(100%)
+
3B6_A_2
QMean=0.754
P2
:
(6 Cplx.)
BDB
pKi= -6.7
414
4.0
2.3
50323024
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(4 Cplx.)
BDB
pKi= -8.2
415
5.2
2.0
50158077
3B66
(100%)
+
B66_A_2
QMean=0.746
P2
:
(4 Cplx.)
BDB
pKi= -7.2
416
6.8
1.8
50205107
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(8 Cplx.)
BDB
pKi= -8.2
417
6.0
1.7
50205102
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -8.5
418
5.9
2.1
18181
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(6 Cplx.)
BDB
pKi= -8.7
419
5.8
1.7
50076311
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(4 Cplx.)
BDB
pKi= -6.3
420
6.3
2.5
50077099
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(5 Cplx.)
BDB
pKi= -7.8
421
8.7
2.1
50321182
3B66
(100%)
+
B66_A_2
QMean=0.746
P2
:
(3 Cplx.)
BDB
pKi= -7.4
422
5.9
1.8
50133133
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(4 Cplx.)
BDB
pKi= -6.0
423
6.8
1.7
50113780
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(4 Cplx.)
BDB
pKi= -6.2
424
5.6
1.6
50323034
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(4 Cplx.)
BDB
pKi= -7.0
425
6.1
2.3
50049512
3B65
(100%)
+
3B6_A_2
QMean=0.754
P2
:
(6 Cplx.)
BDB
pKi= -6.0
426
6.5
1.4
50252080
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(6 Cplx.)
BDB
pKi= -5.6
427
6.8
2.4
50049508
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(7 Cplx.)
BDB
pKi= -6.2
428
6.4
2.4
50205099
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(7 Cplx.)
BDB
pKi= -8.1
429
5.6
1.5
18199
1GS4
(99%)
+
ZK5_A_2
QMean=0.769
P2
:
(5 Cplx.)
BDB
pKi= -6.7
430
6.2
2.2
18600
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(4 Cplx.)
BDB
pKi= -7.6
431
8.0
0.4
8885
1T79
(100%)
+
DHT_A_3
QMean=0.748
P2
:
(7 Cplx.)
BDB
pKi= -7.5
432
8.2
1.7
50252215
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(5 Cplx.)
BDB
pKi= -6.1
433
6.4
2.1
50372098
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(7 Cplx.)
BDB
pKi= -7.1
434
5.6
2.1
50215716
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(5 Cplx.)
BDB
pKi= -8.1
435
5.2
1.7
50156515
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(3 Cplx.)
BDB
pKi= -8.3
436
6.3
2.4
50372097
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(7 Cplx.)
BDB
pKi= -6.2
437
5.6
2.1
50372082
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(6 Cplx.)
BDB
pKi= -8.5
438
6.5
2.0
50133140
3B67
(100%)
+
B67_A_2
QMean=0.741
P2
:
(4 Cplx.)
BDB
pKi= -6.2
439
5.6
2.2
50158076
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(4 Cplx.)
BDB
pKi= -7.1
440
5.6
1.7
50215719
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -6.7
441
9.0
2.4
50321180
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P2
:
(3 Cplx.)
BDB
pKi= -6.5
442
6.7
1.9
50205116
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(7 Cplx.)
BDB
pKi= -8.9
443
6.1
1.6
50205100
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -8.5
444
6.5
2.2
50076706
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P2
:
(6 Cplx.)
BDB
pKi= -7.8
445
6.1
1.7
50062410
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(3 Cplx.)
BDB
pKi= -5.7
446
6.7
2.1
50205097
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(7 Cplx.)
BDB
pKi= -7.9
447
7.1
2.4
50205111
4U4K
(99%)
+
3E0_A_2
QMean=0.738
P2
:
(6 Cplx.)
BDB
pKi= -9.2
448
6.3
2.0
50049507
3V49
(100%)
+
PK0_A_3
QMean=0.755
P2
:
(6 Cplx.)
BDB
pKi= -5.9
449
5.7
1.2
50373242
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(4 Cplx.)
BDB
pKi= -5.8
450
6.8
1.6
18180
2AMB
(100%)
+
17H_A_3
QMean=0.740
P2
:
(9 Cplx.)
BDB
pKi= -8.8
451
5.0
1.9
50103249
3B66
(100%)
+
B66_A_2
QMean=0.746
P2
:
(5 Cplx.)
BDB
pKi= -5.5
452
5.6
1.8
50049511
2AX9
(100%)
+
BHM_A_2
QMean=0.791
P2
:
(6 Cplx.)
BDB
pKi= -6.2
453
9.2
2.0
50321220
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(3 Cplx.)
BDB
pKi= -7.6
454
6.8
2.1
18584
1Z95
(99%)
+
198_C_3
QMean=0.779
P2
:
(7 Cplx.)
BDB
pKi= -8.5
455
5.7
2.4
50205109
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P2
:
(4 Cplx.)
BDB
pKi= -7.3
456
5.0
2.1
50215713
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P2
:
(5 Cplx.)
BDB
pKi= -9.3
457
6.4
1.7
50076300
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P2
:
(4 Cplx.)
BDB
pKi= -5.9
458
6.5
1.6
50156511
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(4 Cplx.)
BDB
pKi= -6.0
459
6.6
1.9
50228079
3V49
(100%)
+
PK0_A_3
QMean=0.755
P3
:
(3 Cplx.)
BDB
pKi= -6.4
460
6.3
2.3
18562
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(4 Cplx.)
BDB
pKi= -7.9
461
5.1
1.9
50156513
3B67
(100%)
+
B67_A_2
QMean=0.741
P3
:
(3 Cplx.)
BDB
pKi= -8.0
462
5.9
1.4
50252177
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P3
:
(3 Cplx.)
BDB
pKi= -6.1
463
6.1
1.9
50133146
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(6 Cplx.)
BDB
pKi= -5.8
464
8.2
2.4
50321207
3B68
(100%)
+
B68_A_2
QMean=0.751
P3
:
(3 Cplx.)
BDB
pKi= -5.5
465
7.2
2.2
50252384
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(4 Cplx.)
BDB
pKi= -6.7
466
6.7
2.4
50372086
2AMB
(100%)
+
17H_A_3
QMean=0.740
P3
:
(4 Cplx.)
BDB
pKi= -8.4
467
3.6
2.3
50323028
3B66
(100%)
+
B66_A_2
QMean=0.746
P3
:
(3 Cplx.)
BDB
pKi= -7.4
468
6.1
2.4
50372079
2AMB
(100%)
+
17H_A_3
QMean=0.740
P3
:
(5 Cplx.)
BDB
pKi= -8.1
469
5.1
1.1
50258752
2AMB
(100%)
+
17H_A_3
QMean=0.740
P3
:
(3 Cplx.)
BDB
pKi= -7.8
470
6.5
2.0
50133151
3RLL
(99%)
+
RLL_A_2
QMean=0.773
P3
:
(3 Cplx.)
BDB
pKi= -6.1
471
5.2
2.1
50086534
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P3
:
(3 Cplx.)
BDB
pKi= -7.0
472
5.5
2.0
50323039
2OZ7
(99%)
+
CA4_A_2
QMean=0.731
P3
:
(4 Cplx.)
BDB
pKi= -8.2
473
7.3
1.4
50252173
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P3
:
(4 Cplx.)
BDB
pKi= -5.7
474
7.2
1.9
50124615
3B67
(100%)
+
B67_A_2
QMean=0.741
P3
:
(6 Cplx.)
BDB
pKi= -6.2
475
5.9
1.6
50348407
1Z95
(99%)
+
198_C_3
QMean=0.779
P3
:
(4 Cplx.)
BDB
pKi= -6.4
476
5.8
1.3
50124594
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(4 Cplx.)
BDB
pKi= -5.9
477
4.7
2.5
50377427
2AX6
(99%)
+
HFT_B_2
QMean=0.787
P3
:
(3 Cplx.)
BDB
pKi= -6.7
478
4.7
1.1
50107347
2PNU
(100%)
+
ENM_A_3
QMean=0.755
P3
:
(3 Cplx.)
BDB
pKi= -5.9
479
4.7
1.7
50170582
2NW4
(99%)
+
8NH_A_2
QMean=0.711
P3
:
(3 Cplx.)
BDB
pKi= -5.5
480
3.4
2.0
50323027
3RLJ
(100%)
+
RLJ_A_2
QMean=0.755
P3
:
(3 Cplx.)
BDB
pKi= -7.0
481
5.8
1.7
50249150
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P4
:
(3 Cplx.)
BDB
pKi= -5.5
482
5.6
1.9
50076296
3B65
(100%)
+
3B6_A_2
QMean=0.754
P4
:
(3 Cplx.)
BDB
pKi= -6.1
483
5.4
1.5
50329702
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P4
:
(3 Cplx.)
BDB
pKi= -6.0
484
5.1
1.8
50249195
4QL8
(100%)
+
JAD_A_2
QMean=0.774
P4
:
(3 Cplx.)
BDB
pKi= -5.0
485
5.5
1.1
50113783
3G0W
(99%)
+
LGB_A_2
QMean=0.733
P5
:
(3 Cplx.)
BDB
pKi= -6.9
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.11
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