Screening Results : Docking based on all models from entry : MINK1_HUMAN
Display Selection :
Study :
All_Studies
RUN0
RUN1
RUN2
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
103904189
103904190
103904191
103904193
103904194
103904196
103904197
103904199
103904200
103904202
103904203
103904204
103904206
103904209
103904210
103904211
103904212
103904213
103904215
103904216
103904217
103904218
103904219
103904220
103904221
103904222
103904223
103904224
103904225
103904226
103904227
103904228
103904229
103904230
103904231
103904232
103904233
103904234
103904235
103904239
103904240
103904252
103904254
103904255
103904258
103904260
103904272
103904275
103904276
103904277
103904278
103904280
103904281
103904283
103904284
103904285
103904286
103904287
103904288
103904290
103904291
103904292
103904293
103904294
103904295
103904300
103904302
103904303
103904304
103904307
103904310
103904313
103904315
103904317
103904319
103904320
103904321
103904322
103904326
103904329
103904331
103904333
103904334
103904335
103904339
103904340
103904341
103904342
103904347
103904351
103904352
103904353
103904354
103904355
103904357
103904359
103904362
103904364
103904366
103904368
103904402
103904407
103904408
103904410
103904411
103904414
103904419
103904420
103904423
103904425
103904426
103904443
103904444
103904448
103904449
103904463
103904465
103904466
103904468
103904469
103904477
103904479
103904480
103904484
103904502
103904504
103904505
103904513
103904514
103904520
103904521
103904523
103904534
103904544
103904552
103904554
103904555
103904556
103904565
103904566
103904567
103904591
103904592
103904593
103904594
103904595
103904596
103904598
103904601
103904602
103904603
103904604
103904605
103904610
103904612
103904615
103904637
103904638
103904647
103904649
103904673
103904677
103904684
103904685
103904686
103904690
103904691
103904692
103904702
103904705
103904736
103904737
103904738
103904739
103904741
103904744
103904746
103904750
103904754
103904758
103904759
103904760
103904762
103904763
103904764
103904766
103904767
103904768
103904769
103904770
103904771
103904772
103904773
103904774
103904779
103904784
103904786
103904789
103904796
103904798
103904804
103904806
103904809
103904811
103904812
103904817
103904859
103904872
103904873
103904886
103904887
103904889
103904904
103904906
103904910
103904926
103904940
103904946
103904947
103904948
103904949
103904950
103904960
103904962
103904963
103904965
103904966
103904978
103904983
103904984
103904985
103904989
103904991
103904999
103905001
103905009
103905024
103905036
103905045
103905055
103905056
103905062
103905063
103905064
103905065
103905066
103905067
103905068
103905069
103905070
103905076
103905079
103905085
103905091
103905092
103905094
103905095
103905097
103905104
103905108
103905112
103905113
103905114
103905117
103905140
103905163
103905167
103905169
103905170
103905172
103905175
103905176
103905182
103905185
103905205
103905208
103905210
103905212
103905215
103905219
103905231
103905238
103905247
103905248
103905250
103905251
103905253
103905255
103905256
103905259
103905260
103905264
103905270
103905271
103905272
103905284
103905313
103905318
103905320
103905339
103905340
103905343
103905344
103905354
103905370
103905371
103905378
103905407
103905409
103905410
103905424
103905443
103905449
103905451
103905453
103905458
103905471
103905472
103905478
103905483
103905488
103905496
103905509
103905536
103905539
103905543
103905545
103905557
103905558
103905562
103905563
103905575
103905577
103905578
103905579
103905581
103905586
103905593
103905597
103905598
103905603
103905605
103905614
103905618
103905621
103905622
103905648
103905649
103905670
103905675
103905676
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.1
2.2
103905067
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN0
pKi= 6.9
2
9.1
1.4
103905313
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
3
9.0
2.0
103904739
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(6 Cplx.)
RUN0
pKi= 6.8
4
8.8
1.9
103904739
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN2
pKi= 6.8
5
8.8
1.2
103905313
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
6
8.8
1.6
103905251
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(4 Cplx.)
RUN0
pKi= 5.7
7
8.7
2.0
103904288
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
8
8.7
2.0
103904773
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
9
8.6
2.3
103904484
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
10
8.6
1.5
103905250
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
11
8.5
0.9
103904326
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
12
8.4
2.2
103904603
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(6 Cplx.)
RUN0
pKi= 5.2
13
8.4
1.8
103905068
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
14
8.4
2.5
103904989
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(5 Cplx.)
RUN0
pKi= 5.6
15
8.3
1.9
103905251
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(7 Cplx.)
RUN1
pKi= 5.7
16
8.3
1.9
103905067
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
17
8.3
1.9
103904764
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
18
8.3
1.6
103905251
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
19
8.3
1.8
103904603
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(8 Cplx.)
RUN2
pKi= 5.2
20
8.3
2.0
103904480
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
21
8.2
1.8
103905250
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
22
8.2
2.1
103904596
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
23
8.2
1.5
103905250
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
24
8.2
1.9
103905247
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
25
8.2
2.5
103905069
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P2
:
(3 Cplx.)
RUN0
pKi= 7
26
8.2
2.1
103905070
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
27
8.1
2.0
103905070
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
28
8.1
2.1
103905575
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
29
8.1
2.3
103904321
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
30
8.1
2.4
103904224
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN0
pKi= 6.9
31
8.0
2.1
103905068
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
32
8.0
1.8
103904544
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
33
8.0
1.4
103904232
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(4 Cplx.)
RUN0
pKi= 8.2
34
8.0
1.9
103904962
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
35
8.0
1.4
103904232
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 8.2
36
7.9
2.2
103904739
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
37
7.9
2.3
103904762
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
38
7.9
1.9
103905069
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(3 Cplx.)
RUN2
pKi= 7
39
7.9
2.4
103904784
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
40
7.9
2.3
103904225
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN0
pKi= 7.4
41
7.9
1.8
103904479
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN0
pKi= 7.6
42
7.8
1.3
103904219
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
43
7.8
1.7
103904219
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
44
7.8
2.5
103905354
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
45
7.8
1.8
103904989
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(3 Cplx.)
RUN1
pKi= 5.6
46
7.7
2.4
103905172
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
47
7.7
2.2
103904466
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
48
7.7
1.9
103904313
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 7.6
49
7.7
2.4
103904423
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
50
7.7
2.1
103905577
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
51
7.6
2.2
103904647
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
52
7.6
1.6
103904591
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
53
7.6
2.3
103904591
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P2
:
(3 Cplx.)
RUN0
pKi= 7.2
54
7.6
2.4
103905410
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN0
pKi= 5.5
55
7.6
1.8
103905024
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN1
pKi= 7
56
7.6
2.0
103904235
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 8
57
7.6
2.0
103904521
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
58
7.6
1.6
103905024
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN0
pKi= 7
59
7.6
1.6
103904225
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
60
7.6
2.4
103904991
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
61
7.6
1.8
103904591
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
62
7.6
2.3
103904592
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
63
7.5
1.6
103904227
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(6 Cplx.)
RUN2
pKi= 8.2
64
7.5
2.1
103904989
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
65
7.5
2.0
103905557
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN1
pKi= 8.9
66
7.5
1.4
103904260
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 7.9
67
7.5
1.7
103905488
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(3 Cplx.)
RUN2
pKi= 6.6
68
7.5
2.2
103904223
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
69
7.5
1.8
103904738
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
70
7.5
1.8
103905062
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
71
7.5
1.6
103904737
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
72
7.5
2.0
103904595
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
73
7.5
2.1
103904763
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN0
pKi= 6
74
7.5
2.2
103904479
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 7.6
75
7.5
2.4
103904596
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
76
7.5
1.2
103904254
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
77
7.5
2.3
103904463
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN2
pKi= 7.2
78
7.5
2.5
103904466
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
79
7.5
1.6
103905056
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(7 Cplx.)
RUN1
pKi= 8.1
80
7.5
1.7
103905062
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
81
7.5
2.0
103904477
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
82
7.4
2.4
103904194
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
83
7.4
1.9
103904189
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 8.5
84
7.4
1.7
103905076
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN1
pKi= 5.4
85
7.4
1.9
103904200
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
86
7.4
2.2
103904190
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
87
7.4
2.4
103905496
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN2
pKi= 5.1
88
7.4
1.9
103905255
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
89
7.4
1.6
103905684
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
90
7.3
1.8
103904218
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
91
7.3
2.2
103905649
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
92
7.3
2.4
103905558
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
93
7.3
1.1
103905024
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 7
94
7.3
1.8
103905543
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
95
7.3
2.0
103904759
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
96
7.3
1.4
103904225
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
97
7.3
1.4
103904737
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
98
7.3
2.0
103905563
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
99
7.3
1.7
103904222
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
100
7.3
1.4
103904199
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 7.5
101
7.2
2.5
103904213
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
102
7.2
1.4
103904737
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
103
7.2
2.1
103905410
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
104
7.2
1.9
103904255
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN1
pKi= 8.2
105
7.2
2.0
103904774
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN1
pKi= 5.1
106
7.2
2.1
103905313
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(3 Cplx.)
RUN1
pKi= 7.5
107
7.2
2.2
103904686
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
108
7.2
2.3
103904342
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
109
7.2
1.9
103904521
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
110
7.2
1.3
103904199
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(4 Cplx.)
RUN2
pKi= 7.5
111
7.2
2.4
103904544
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
112
7.2
1.8
103904605
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN0
pKi= 7.8
113
7.2
1.9
103905064
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
114
7.2
2.0
103904468
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN0
pKi= 7.3
115
7.2
1.3
103904239
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN1
pKi= 6.7
116
7.2
1.4
103904228
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
117
7.2
2.3
103904638
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
118
7.2
2.2
103905076
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
119
7.2
1.8
103904991
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
120
7.2
0.9
103905272
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
121
7.2
2.5
103904233
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN0
pKi= 8.1
122
7.2
2.1
103904258
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN0
pKi= 7.9
123
7.2
0.9
103905670
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
124
7.2
2.4
103904991
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
125
7.1
1.4
103905215
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 5.1
126
7.1
1.0
103904226
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
127
7.1
1.5
103904230
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
128
7.1
2.2
103904414
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 5.4
129
7.1
2.0
103904258
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 7.9
130
7.1
1.8
103904604
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
131
7.1
2.2
103905562
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
132
7.1
1.5
103904197
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 8.1
133
7.1
2.0
103904638
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 5.6
134
7.1
1.9
103905453
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN2
pKi= 8.4
135
7.1
2.4
103904567
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
136
7.1
1.4
103904189
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 8.5
137
7.0
1.9
103904204
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(5 Cplx.)
RUN1
pKi= 8.2
138
7.0
1.9
103905370
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
139
7.0
2.0
103905272
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
140
7.0
1.8
103905488
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
141
7.0
2.5
103904615
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(7 Cplx.)
RUN0
pKi= 5.7
142
7.0
2.0
103904684
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN0
pKi= 8
143
7.0
2.2
103904534
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
144
7.0
1.7
103904216
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN0
pKi= 8.4
145
7.0
1.3
103904254
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
146
6.9
1.2
103904200
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
147
6.9
1.4
103904224
3CKX
(44%)
+
STU_A_2
QMean=0.506
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
148
6.9
1.4
103905001
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
149
6.9
2.1
103904340
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
150
6.9
1.9
103904239
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(7 Cplx.)
RUN2
pKi= 6.7
151
6.9
2.2
103905169
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN0
pKi= 6.1
152
6.9
2.3
103904764
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
153
6.9
2.5
103905543
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
154
6.9
2.1
103904595
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN1
pKi= 6.7
155
6.9
2.1
103905247
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
156
6.9
2.2
103904465
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN0
pKi= 6
157
6.9
1.9
103904904
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
158
6.9
2.3
103905172
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
159
6.9
2.3
103904904
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
160
6.9
1.6
103904750
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 6
161
6.8
2.1
103905563
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 5.1
162
6.8
2.0
103904984
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
163
6.8
1.8
103904906
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
164
6.8
1.0
103905272
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 6.8
165
6.8
1.7
103904999
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
166
6.8
1.6
103905248
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN1
pKi= 5.4
167
6.8
1.7
103904534
3CKX
(44%)
+
STU_A_2
QMean=0.506
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
168
6.8
2.2
103905370
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
169
6.8
1.9
103904220
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 7.8
170
6.8
2.2
103905260
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
171
6.8
1.8
103904684
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN2
pKi= 8
172
6.8
1.4
103904226
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
173
6.8
2.0
103904235
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 8
174
6.8
2.3
103904294
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(3 Cplx.)
RUN1
pKi= 5.2
175
6.8
2.3
103905256
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
176
6.8
1.6
103904594
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
177
6.8
1.5
103904904
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
178
6.8
1.8
103904258
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(4 Cplx.)
RUN1
pKi= 7.9
179
6.8
2.1
103904218
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
180
6.7
1.5
103904203
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
181
6.7
1.9
103904216
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN2
pKi= 8.4
182
6.7
1.0
103905648
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
183
6.7
2.2
103904686
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
184
6.7
2.5
103905264
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
185
6.7
1.5
103904906
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
186
6.7
1.6
103904649
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(4 Cplx.)
RUN2
pKi= 6.5
187
6.7
2.1
103904612
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(5 Cplx.)
RUN0
pKi= 7.5
188
6.7
1.8
103904229
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
189
6.7
1.3
103904217
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
190
6.7
2.2
103905259
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(7 Cplx.)
RUN2
pKi= 7.2
191
6.7
1.6
103904222
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN1
pKi= 7.9
192
6.7
1.9
103904686
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
193
6.7
1.8
103904220
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN0
pKi= 7.8
194
6.6
1.9
103905113
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
195
6.6
2.3
103904275
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
196
6.6
1.9
103904684
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN1
pKi= 8
197
6.6
2.1
103904523
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
198
6.6
2.2
103905370
4BID
(37%)
+
IE8_A_4
QMean=0.383
P3
:
(4 Cplx.)
RUN1
pKi= 5.6
199
6.6
1.7
103904999
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
200
6.6
2.0
103904595
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN0
pKi= 6.7
201
6.6
2.4
103904514
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
202
6.6
1.8
103904220
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN2
pKi= 7.8
203
6.6
1.3
103904906
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
204
6.6
1.8
103904193
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN2
pKi= 8.5
205
6.6
2.5
103905260
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
206
6.6
2.4
103904351
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
207
6.6
1.8
103905140
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
208
6.6
1.5
103904217
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P2
:
(3 Cplx.)
RUN1
pKi= 7.7
209
6.6
2.5
103904520
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN0
pKi= 5.5
210
6.6
2.5
103904984
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
211
6.6
2.2
103905471
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
212
6.6
1.1
103904615
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
213
6.6
1.4
103904232
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN1
pKi= 8.2
214
6.5
2.5
103905065
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
215
6.5
2.3
103905092
2J7T
(41%)
+
274_A_10
QMean=0.429
P2
:
(3 Cplx.)
RUN1
pKi= 6
216
6.5
1.9
103904872
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
217
6.5
1.5
103904227
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN1
pKi= 8.2
218
6.5
1.5
103904255
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P2
:
(3 Cplx.)
RUN0
pKi= 8.2
219
6.5
1.4
103904255
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN2
pKi= 8.2
220
6.5
1.9
103904278
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 5.1
221
6.5
1.5
103904702
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
222
6.5
2.2
103904612
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(6 Cplx.)
RUN2
pKi= 7.5
223
6.5
2.1
103905113
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 5.4
224
6.5
1.8
103904465
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 6
225
6.5
1.5
103905259
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(4 Cplx.)
RUN0
pKi= 7.2
226
6.5
2.4
103905545
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
227
6.5
2.1
103904746
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
228
6.5
1.9
103904502
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P3
:
(3 Cplx.)
RUN0
pKi= 6.4
229
6.5
1.9
103904196
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
230
6.5
1.0
103904223
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
231
6.5
0.9
103904202
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
232
6.5
1.2
103904233
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
233
6.5
2.2
103904402
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN2
pKi= 7.4
234
6.5
2.1
103904806
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN0
pKi= 7
235
6.5
2.2
103904984
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
236
6.5
1.6
103905140
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
237
6.5
2.1
103904190
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
238
6.5
1.5
103904231
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P2
:
(4 Cplx.)
RUN1
pKi= 8.3
239
6.5
2.5
103905256
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
240
6.5
2.0
103904702
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
241
6.4
2.4
103905163
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
242
6.4
1.6
103904218
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(6 Cplx.)
RUN1
pKi= 7.2
243
6.4
1.3
103904210
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN2
pKi= 6
244
6.4
2.1
103904673
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 5.3
245
6.4
2.2
103904612
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
246
6.4
2.4
103905371
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
247
6.4
2.5
103905577
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
248
6.4
2.4
103904339
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
249
6.4
1.2
103904604
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN0
pKi= 6.9
250
6.4
2.3
103904505
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
251
6.4
1.5
103904593
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN0
pKi= 7
252
6.4
2.0
103904677
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(5 Cplx.)
RUN1
pKi= 5.7
253
6.4
2.2
103904872
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
254
6.4
1.6
103905621
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
255
6.4
1.7
103904203
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
256
6.4
2.4
103904342
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.1
257
6.4
2.0
103904212
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(9 Cplx.)
RUN0
pKi= 6.5
258
6.4
1.7
103904886
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
259
6.4
2.2
103904649
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
260
6.4
2.2
103904514
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
261
6.4
1.6
103904758
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
262
6.4
1.7
103905182
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN0
pKi= 6.3
263
6.4
1.2
103904216
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN1
pKi= 8.4
264
6.4
2.0
103904605
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 7.8
265
6.4
1.9
103904221
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
266
6.4
1.9
103904229
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
267
6.4
2.0
103904806
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P2
:
(4 Cplx.)
RUN2
pKi= 7
268
6.4
2.0
103905113
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
269
6.4
2.2
103904873
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
270
6.3
1.7
103905478
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN1
pKi= 5.1
271
6.3
2.5
103905085
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(7 Cplx.)
RUN1
pKi= 5.1
272
6.3
2.3
103904605
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN1
pKi= 7.8
273
6.3
1.5
103904610
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
274
6.3
1.2
103904194
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
275
6.3
2.2
103904886
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN0
pKi= 5.2
276
6.3
1.7
103904190
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(4 Cplx.)
RUN2
pKi= 7.7
277
6.3
2.2
103904983
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 7.2
278
6.3
1.9
103904221
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(5 Cplx.)
RUN0
pKi= 6.7
279
6.3
1.5
103904213
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
280
6.3
2.4
103905598
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(5 Cplx.)
RUN0
pKi= 5.5
281
6.3
2.1
103904685
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN0
pKi= 6.2
282
6.3
1.8
103904965
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN1
pKi= 6.6
283
6.3
2.1
103904215
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(9 Cplx.)
RUN1
pKi= 7.4
284
6.3
1.8
103904736
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(6 Cplx.)
RUN0
pKi= 5.7
285
6.3
1.0
103904189
4BID
(37%)
+
IE8_A_4
QMean=0.383
P2
:
(3 Cplx.)
RUN1
pKi= 8.5
286
6.3
2.5
103904593
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(6 Cplx.)
RUN2
pKi= 7
287
6.2
1.8
103904502
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(5 Cplx.)
RUN2
pKi= 6.4
288
6.2
2.1
103905684
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
289
6.2
1.7
103904965
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
290
6.2
1.8
103905182
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
291
6.2
2.2
103904766
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
292
6.2
2.2
103904200
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
293
6.2
1.7
103904604
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN1
pKi= 6.9
294
6.2
1.8
103905259
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(8 Cplx.)
RUN1
pKi= 7.2
295
6.2
1.6
103905471
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
296
6.2
2.0
103905094
3CKX
(44%)
+
STU_A_2
QMean=0.506
P2
:
(3 Cplx.)
RUN1
pKi= 7.6
297
6.2
2.0
103904649
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN0
pKi= 6.5
298
6.2
2.1
103904673
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
299
6.2
1.9
103905212
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
300
6.2
2.0
103904230
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
301
6.1
2.4
103904359
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
302
6.1
2.1
103904610
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
303
6.1
2.3
103905095
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(5 Cplx.)
RUN0
pKi= 7
304
6.1
2.0
103905095
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN2
pKi= 7
305
6.1
2.3
103904277
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
306
6.1
2.4
103905271
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN1
pKi= 6
307
6.1
1.4
103904197
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN1
pKi= 8.1
308
6.1
1.8
103904199
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN1
pKi= 7.5
309
6.1
2.5
103905451
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(6 Cplx.)
RUN2
pKi= 5.3
310
6.1
2.2
103904593
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(5 Cplx.)
RUN1
pKi= 7
311
6.1
1.6
103904567
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
312
6.1
2.4
103904276
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 5.1
313
6.1
2.0
103905231
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
314
6.1
2.2
103904983
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
315
6.0
1.9
103905451
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(6 Cplx.)
RUN0
pKi= 5.3
316
6.0
1.4
103904193
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(4 Cplx.)
RUN1
pKi= 8.5
317
6.0
1.9
103904194
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
318
6.0
2.2
103904736
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
319
6.0
1.8
103905270
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN2
pKi= 5.1
320
6.0
1.1
103904926
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
321
6.0
2.4
103904886
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN1
pKi= 5.2
322
6.0
1.7
103904252
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN1
pKi= 7
323
6.0
1.3
103904615
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P2
:
(4 Cplx.)
RUN1
pKi= 5.7
324
6.0
2.1
103904402
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
325
6.0
2.0
103905424
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
326
6.0
2.3
103905545
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
327
6.0
2.3
103904368
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 6
328
6.0
1.9
103904221
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(7 Cplx.)
RUN1
pKi= 6.7
329
6.0
1.3
103904212
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
330
6.0
1.5
103904804
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(6 Cplx.)
RUN1
pKi= 5.6
331
5.9
1.8
103905449
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P2
:
(4 Cplx.)
RUN2
pKi= 6
332
5.9
1.7
103905009
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
333
5.9
2.2
103905339
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
334
5.9
2.0
103905231
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
335
5.9
0.6
103905112
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
336
5.9
2.4
103904804
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
337
5.9
2.2
103905085
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(9 Cplx.)
RUN2
pKi= 5.1
338
5.9
2.4
103905091
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
339
5.9
2.2
103905371
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
340
5.9
1.7
103904233
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(6 Cplx.)
RUN1
pKi= 8.1
341
5.9
1.8
103904673
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
342
5.9
2.4
103905614
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN0
pKi= 5.5
343
5.9
2.1
103904554
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
344
5.9
2.2
103904287
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
345
5.8
1.5
103904212
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P3
:
(3 Cplx.)
RUN1
pKi= 6.5
346
5.8
1.9
103904196
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
347
5.8
1.8
103905112
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
348
5.8
2.2
103904887
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN0
pKi= 5.3
349
5.8
2.3
103905676
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 5.2
350
5.8
0.7
103905112
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
351
5.8
1.9
103904252
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN2
pKi= 7
352
5.8
1.3
103904209
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(9 Cplx.)
RUN1
pKi= 5.8
353
5.8
2.4
103904347
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
354
5.8
2.4
103904286
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
355
5.7
1.9
103905449
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 6
356
5.7
1.7
103904215
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(9 Cplx.)
RUN2
pKi= 7.4
357
5.7
2.4
103904887
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(10 Cplx.)
RUN2
pKi= 5.3
358
5.7
1.8
103905238
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
359
5.7
2.2
103904202
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P2
:
(3 Cplx.)
RUN1
pKi= 6.9
360
5.7
1.8
103904963
3CKX
(44%)
+
STU_A_2
QMean=0.506
P2
:
(4 Cplx.)
RUN1
pKi= 5.8
361
5.7
2.0
103904213
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
362
5.7
1.9
103904610
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(4 Cplx.)
RUN1
pKi= 5.6
363
5.7
1.6
103904234
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
364
5.7
1.8
103905215
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN1
pKi= 5.1
365
5.7
2.1
103904469
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
366
5.7
1.4
103904520
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
367
5.7
1.4
103905212
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
368
5.7
1.9
103904963
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
369
5.6
1.9
103904789
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P2
:
(3 Cplx.)
RUN2
pKi= 5.1
370
5.6
2.0
103905378
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
371
5.6
1.8
103904240
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
372
5.6
2.1
103904284
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
373
5.6
1.4
103904502
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(7 Cplx.)
RUN1
pKi= 6.4
374
5.5
2.1
103904555
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
375
5.5
2.1
103904295
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
376
5.5
1.3
103904520
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN1
pKi= 5.5
377
5.5
2.0
103904211
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
378
5.5
1.5
103905409
4BIC
(37%)
+
IE4_A_3
QMean=0.405
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
379
5.5
2.4
103904798
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
380
5.5
2.4
103904555
3CKX
(44%)
+
STU_A_2
QMean=0.506
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
381
5.5
2.0
103904966
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
382
5.5
2.3
103904789
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(5 Cplx.)
RUN1
pKi= 5.1
383
5.5
2.1
103904554
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
384
5.5
2.0
103905536
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
385
5.5
1.9
103905238
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
386
5.5
2.4
103904873
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
387
5.5
1.7
103904240
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(5 Cplx.)
RUN1
pKi= 6.1
388
5.5
1.8
103904191
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN1
pKi= 7
389
5.4
1.0
103905117
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN2
pKi= 6
390
5.4
1.6
103905167
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
391
5.4
1.8
103904889
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
392
5.4
2.1
103904798
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
393
5.4
2.5
103904940
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
394
5.4
2.1
103905675
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P2
:
(4 Cplx.)
RUN1
pKi= 6.7
395
5.4
2.0
103905318
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
396
5.4
2.1
103904364
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(3 Cplx.)
RUN0
pKi= 5.3
397
5.4
1.4
103904786
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
398
5.3
1.4
103905536
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
399
5.3
1.4
103904940
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
400
5.3
1.6
103905167
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
401
5.3
2.0
103905409
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
402
5.3
2.4
103904809
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
403
5.3
1.9
103904504
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(3 Cplx.)
RUN0
pKi= 5.3
404
5.3
2.2
103904741
4BIB
(37%)
+
IEO_B_8
QMean=0.453
P1
:
(3 Cplx.)
RUN2
pKi= 5.1
405
5.2
1.3
103904940
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
406
5.2
1.7
103905167
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
407
5.2
2.0
103905675
4BID
(37%)
+
IE8_A_4
QMean=0.383
P1
:
(3 Cplx.)
RUN0
pKi= 6.7
408
5.2
1.7
103905675
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P2
:
(4 Cplx.)
RUN2
pKi= 6.7
409
5.2
1.9
103905117
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN0
pKi= 6
410
5.2
1.7
103905443
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
411
5.2
2.3
103905163
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
412
5.2
1.8
103904594
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
413
5.1
2.3
103905407
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
414
5.1
2.2
103905614
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
415
5.1
2.0
103905676
4BIE
(37%)
+
IE6_A_4
QMean=0.417
P1
:
(3 Cplx.)
RUN1
pKi= 5.2
416
5.1
1.1
103905117
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(4 Cplx.)
RUN1
pKi= 6
417
5.1
2.1
103904234
3A7J
(44%)
+
ADP_A_2
QMean=0.500
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
418
5.1
2.0
103905009
3GGF
(45%)
+
GVD_B_11
QMean=0.461
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
419
5.0
2.5
103904889
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
420
5.0
2.3
103905581
3ZDU
(31%)
+
38R_A_2
QMean=0.473
P1
:
(7 Cplx.)
RUN0
pKi= 5.1
421
5.0
2.1
103904798
4BHN
(37%)
+
BH9_B_5
QMean=0.416
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
422
4.9
1.6
103904504
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(6 Cplx.)
RUN2
pKi= 5.3
423
4.9
2.0
103905378
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P3
:
(3 Cplx.)
RUN1
pKi= 5.2
424
4.9
2.0
103904469
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN1
pKi= 6.5
425
4.9
2.0
103905114
2XIK
(44%)
+
J60_A_3
QMean=0.529
P2
:
(3 Cplx.)
RUN1
pKi= 5.5
426
4.8
1.7
103904234
2J7T
(41%)
+
274_A_10
QMean=0.429
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
427
4.8
2.2
103904889
4AOT
(41%)
+
GW8_A_7
QMean=0.469
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
428
4.8
1.9
103905579
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
429
4.7
2.0
103904364
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P2
:
(3 Cplx.)
RUN1
pKi= 5.3
430
4.7
2.4
103905045
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
431
4.5
2.0
103904504
3A7H
(44%)
+
ATP_A_3
QMean=0.461
P2
:
(5 Cplx.)
RUN1
pKi= 5.3
432
4.5
2.0
103904887
2XIK
(44%)
+
J60_A_3
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 5.3
433
4.4
2.2
103905284
3CKX
(44%)
+
STU_A_2
QMean=0.506
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
434
4.3
2.0
103905581
4EQU
(41%)
+
G6I_B_6
QMean=0.409
P1
:
(4 Cplx.)
RUN2
pKi= 5.1
435
4.3
2.5
103905284
4FZF
(44%)
+
DKI_B_3
QMean=0.504
P1
:
(5 Cplx.)
RUN2
pKi= 5.3
436
4.2
2.3
103905581
3DAK
(39%)
+
ANP_B_7
QMean=0.409
P1
:
(3 Cplx.)
RUN1
pKi= 5.1
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.28
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