Screening Results : Docking based on all models from entry : FGFR1_HUMAN
Display Selection :
Study :
All_Studies
RUN2
VALID0
VALID2
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
103904192
103904193
103904195
103904196
103904198
103904200
103904201
103904203
103904206
103904209
103904210
103904212
103904214
103904215
103904269
103904271
103904272
103904273
103904274
103904275
103904276
103904277
103904278
103904279
103904280
103904281
103904282
103904283
103904284
103904285
103904286
103904287
103904288
103904289
103904290
103904291
103904292
103904293
103904294
103904295
103904296
103904297
103904300
103904302
103904303
103904304
103904307
103904308
103904309
103904310
103904313
103904314
103904315
103904316
103904317
103904318
103904319
103904320
103904321
103904322
103904323
103904324
103904325
103904326
103904327
103904333
103904334
103904335
103904336
103904338
103904339
103904341
103904342
103904343
103904346
103904347
103904348
103904349
103904351
103904354
103904356
103904357
103904359
103904361
103904362
103904363
103904365
103904366
103904368
103904370
103904379
103904381
103904402
103904403
103904404
103904405
103904406
103904411
103904417
103904418
103904419
103904420
103904422
103904426
103904427
103904441
103904442
103904443
103904462
103904465
103904470
103904471
103904479
103904484
103904502
103904504
103904505
103904506
103904508
103904511
103904512
103904514
103904525
103904527
103904568
103904591
103904592
103904593
103904594
103904595
103904596
103904597
103904598
103904599
103904600
103904601
103904602
103904603
103904604
103904610
103904611
103904636
103904644
103904645
103904649
103904656
103904657
103904677
103904684
103904702
103904704
103904707
103904735
103904739
103904740
103904742
103904746
103904752
103904754
103904763
103904765
103904767
103904769
103904772
103904782
103904783
103904784
103904785
103904787
103904788
103904796
103904801
103904802
103904806
103904811
103904812
103904816
103904818
103904819
103904826
103904854
103904855
103904856
103904857
103904861
103904862
103904865
103904867
103904871
103904872
103904880
103904890
103904904
103904905
103904906
103904907
103904917
103904925
103904935
103904937
103904938
103904940
103904941
103904947
103904953
103904976
103904977
103904987
103904990
103904991
103904993
103904994
103904995
103904996
103904997
103904999
103905004
103905008
103905009
103905026
103905029
103905031
103905032
103905034
103905040
103905041
103905042
103905043
103905044
103905053
103905055
103905061
103905062
103905064
103905065
103905066
103905073
103905075
103905087
103905089
103905091
103905092
103905093
103905094
103905095
103905107
103905111
103905112
103905113
103905114
103905115
103905116
103905117
103905119
103905122
103905159
103905160
103905177
103905182
103905200
103905212
103905213
103905214
103905215
103905219
103905226
103905230
103905238
103905246
103905247
103905250
103905251
103905259
103905268
103905272
103905273
103905274
103905275
103905276
103905282
103905283
103905295
103905297
103905306
103905313
103905315
103905317
103905318
103905326
103905327
103905329
103905338
103905340
103905354
103905368
103905371
103905374
103905397
103905398
103905406
103905412
103905414
103905428
103905429
103905439
103905462
103905463
103905464
103905486
103905488
103905491
103905494
103905499
103905503
103905504
103905508
103905509
103905521
103905525
103905528
103905531
103905532
103905539
103905543
103905552
103905558
103905560
103905573
103905574
103905575
103905576
103905578
103905579
103905585
103905598
103905601
103905603
103905604
103905605
103905607
103905608
103905615
103905616
103905620
103905621
103905622
103905631
103905632
103905636
103905639
103905641
103905642
103905648
103905652
103905657
103905668
103905673
103905675
103905676
103905680
103905682
103905684
3WJ6_LWJ
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.9
1.9
103904363
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
2
7.2
1.0
103904906
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(8 Cplx.)
RUN2
pKi= 6.3
3
7.7
2.0
103905091
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(13 Cplx.)
RUN2
pKi= 7.7
4
9.3
1.6
103904287
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
5
7.5
1.9
103904999
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
6
8.2
1.7
103905682
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
7
9.1
1.3
103904993
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
8
7.4
2.5
103905095
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(15 Cplx.)
RUN2
pKi= 7.3
9
5.9
1.3
103905117
2I0V
(55%)
+
6C3_A_3
QMean=0.536
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
10
7.0
2.1
103905668
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(10 Cplx.)
RUN2
pKi= 6.4
11
6.9
1.6
103904997
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
12
9.5
1.5
103904816
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
13
7.2
1.3
103904201
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
14
7.9
1.6
103904300
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 7.6
15
5.7
1.1
103905115
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(6 Cplx.)
RUN2
pKi= 6
16
7.6
1.9
103905247
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
17
8.4
1.3
103904406
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
18
4.9
2.5
103904867
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(14 Cplx.)
RUN2
pKi= 4.3
19
4.7
2.4
103905528
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(12 Cplx.)
RUN2
pKi= 4.3
20
9.1
1.6
103904317
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(9 Cplx.)
RUN2
pKi= 7.5
21
5.9
1.8
103904215
3CPC
(55%)
+
C52_A_3
QMean=0.481
P1
:
(9 Cplx.)
RUN2
pKi= 5.3
22
5.2
2.0
103905494
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(6 Cplx.)
RUN2
pKi= 5
23
7.2
1.8
103904644
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P1
:
(5 Cplx.)
RUN2
pKi= 6
24
6.6
1.9
103904309
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(4 Cplx.)
RUN2
pKi= 8.2
25
4.3
1.0
103905579
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P1
:
(4 Cplx.)
RUN2
pKi= 4.8
26
8.5
2.1
103905062
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
27
6.4
2.3
103904610
3B2T
(87%)
+
M33_A_7
QMean=0.527
P1
:
(9 Cplx.)
RUN2
pKi= 5.9
28
8.1
1.1
103905326
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
29
6.5
2.0
103904192
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
30
8.4
1.6
103905338
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
31
8.5
2.2
103904271
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
32
7.1
2.0
103905259
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
33
7.4
1.4
103904812
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
34
8.0
2.1
103905094
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(17 Cplx.)
RUN2
pKi= 8.8
35
8.8
1.9
103904293
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 7.7
36
6.4
1.6
103905295
3EFL
(55%)
+
706_B_4
QMean=0.493
P1
:
(6 Cplx.)
RUN2
pKi= 4.4
37
6.1
1.4
103904990
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(9 Cplx.)
RUN2
pKi= 5.5
38
6.9
1.5
103904508
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
39
4.9
2.1
103904704
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
40
8.9
1.9
103904357
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
41
8.0
1.6
103904339
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
42
9.5
1.5
103904994
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
43
6.1
2.1
103904200
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(5 Cplx.)
RUN2
pKi= 5.4
44
5.8
1.6
103904987
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P1
:
(6 Cplx.)
RUN2
pKi= 5.3
45
8.0
2.0
103904785
4F64
(99%)
+
0S8_B_7
QMean=0.554
P1
:
(3 Cplx.)
RUN2
pKi= 8
46
9.5
0.5
103905539
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 7.3
47
8.1
1.6
103904335
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
48
7.3
1.5
103904297
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P1
:
(6 Cplx.)
RUN2
pKi= 7.6
49
9.5
1.9
103904784
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(4 Cplx.)
RUN2
pKi= 8.1
50
7.7
2.4
103904907
3CPC
(55%)
+
C52_A_3
QMean=0.481
P1
:
(10 Cplx.)
RUN2
pKi= 5.5
51
6.0
2.3
103904310
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(3 Cplx.)
RUN2
pKi= 8.5
52
6.6
2.3
103905160
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P1
:
(3 Cplx.)
RUN2
pKi= 7.8
53
7.3
2.4
103905406
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
54
5.3
1.5
103905107
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
55
7.1
1.7
103904307
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(5 Cplx.)
RUN2
pKi= 7.2
56
3.8
1.9
103904442
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(7 Cplx.)
RUN2
pKi= 4.5
57
7.4
1.8
103905092
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
58
7.2
1.8
103905026
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
59
6.7
1.8
103904525
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
60
5.9
0.8
103905283
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(8 Cplx.)
RUN2
pKi= 5
61
8.4
2.3
103904343
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(3 Cplx.)
RUN2
pKi= 7.6
62
7.4
2.0
103905315
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
63
7.8
1.8
103904443
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
64
8.0
1.6
103904351
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 6.1
65
5.7
1.6
103905543
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
66
6.6
1.8
103905608
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(5 Cplx.)
RUN2
pKi= 7.9
67
7.6
1.5
103904782
2PWL
(86%)
+
ABG_B_8
QMean=0.534
P1
:
(8 Cplx.)
RUN2
pKi= 7
68
6.3
2.0
103905573
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(8 Cplx.)
RUN2
pKi= 5.5
69
7.2
1.7
103904742
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
70
10.2
1.8
103904302
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(11 Cplx.)
RUN2
pKi= 6.7
71
6.4
1.1
103904527
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
72
8.2
2.4
103905093
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 5.5
73
8.4
1.6
103905034
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
74
7.7
1.6
103904819
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(13 Cplx.)
RUN2
pKi= 7.1
75
7.4
1.4
103904276
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
76
5.2
1.1
103905508
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(6 Cplx.)
RUN2
pKi= 4.2
77
7.8
1.7
103904285
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(8 Cplx.)
RUN2
pKi= 7.1
78
6.0
1.8
103905029
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P1
:
(7 Cplx.)
RUN2
pKi= 4.2
79
9.7
1.5
103904273
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
80
4.1
1.7
103905306
2I0V
(55%)
+
6C3_A_3
QMean=0.536
P1
:
(5 Cplx.)
RUN2
pKi= 5
81
8.7
1.6
103905250
2IVS
(54%)
+
ACK_A_6
QMean=0.526
P1
:
(6 Cplx.)
RUN2
pKi= 6.9
82
6.6
1.7
103905558
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
83
8.0
2.1
103904324
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
84
5.6
0.9
103905491
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 5
85
8.6
1.7
103904996
3CPC
(55%)
+
C52_A_3
QMean=0.481
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
86
8.3
2.0
103904303
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 7.2
87
5.6
1.5
103905122
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(8 Cplx.)
RUN2
pKi= 4.6
88
10.7
1.3
103904354
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(9 Cplx.)
RUN2
pKi= 8.2
89
7.6
0.7
103905272
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(4 Cplx.)
RUN2
pKi= 8.3
90
6.9
1.6
103904594
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
91
7.1
1.3
103905268
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
92
7.2
1.5
103904362
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 7
93
6.5
2.1
103904645
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
94
8.1
2.2
3WJ6_LWJ
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(9 Cplx.)
VALID0
-= -
95
7.2
1.6
103904195
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(7 Cplx.)
RUN2
pKi= 6
96
6.3
1.9
103905598
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(5 Cplx.)
RUN2
pKi= 5.3
97
7.6
2.3
103904769
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
98
8.0
2.2
103904514
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
99
6.9
1.6
103904336
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
100
8.6
2.1
103904684
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(12 Cplx.)
RUN2
pKi= 7.6
101
7.9
2.3
103904342
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
102
9.7
1.5
103904288
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
103
5.4
1.6
103905675
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
104
6.0
2.4
103904568
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 4.2
105
8.4
2.4
103904941
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
106
5.5
1.8
103904506
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(5 Cplx.)
RUN2
pKi= 4.7
107
8.0
1.9
103904314
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
108
6.3
1.9
103905004
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
109
8.7
1.4
103905213
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
110
6.6
1.8
103904214
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
111
6.7
1.0
103904502
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
112
9.0
1.8
103904280
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(10 Cplx.)
RUN2
pKi= 7
113
6.8
1.5
103904783
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(12 Cplx.)
RUN2
pKi= 6.5
114
9.4
1.6
103904319
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
115
4.4
2.0
103904656
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(10 Cplx.)
RUN2
pKi= 4.8
116
6.2
1.7
103905042
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(4 Cplx.)
RUN2
pKi= 6
117
6.8
1.4
103905200
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(8 Cplx.)
RUN2
pKi= 5.1
118
7.1
2.1
103904855
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
119
7.1
1.3
103904212
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
120
6.3
2.4
103904746
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
121
8.3
1.6
103904292
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(7 Cplx.)
RUN2
pKi= 7.5
122
8.0
2.1
103904763
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(4 Cplx.)
RUN2
pKi= 5.5
123
10.2
1.9
103904289
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(9 Cplx.)
RUN2
pKi= 6.4
124
6.0
1.5
103904735
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
125
5.7
1.3
103905329
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(7 Cplx.)
RUN2
pKi= 4.6
126
9.6
1.6
103904269
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(12 Cplx.)
RUN2
pKi= 6.7
127
5.8
1.1
103905274
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(6 Cplx.)
RUN2
pKi= 4.2
128
3.6
2.1
103905601
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
129
7.5
1.8
103904591
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
130
7.3
1.8
103905212
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(7 Cplx.)
RUN2
pKi= 5.9
131
6.9
1.5
103904938
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
132
8.1
1.6
103904767
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
133
5.8
1.8
103905008
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(5 Cplx.)
RUN2
pKi= 4.1
134
7.2
1.7
103904368
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
135
6.7
1.7
103905273
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
136
5.7
2.2
103905676
3GQL
(99%)
+
GQL_C_6
QMean=0.574
P1
:
(11 Cplx.)
RUN2
pKi= 6.1
137
9.6
1.5
103904341
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(6 Cplx.)
RUN2
pKi= 7.4
138
7.6
1.8
103904365
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 5.3
139
6.9
1.7
103904905
4F65
(99%)
+
0S9_A_10
QMean=0.579
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
140
6.1
1.9
103905112
2I0V
(55%)
+
6C3_A_3
QMean=0.536
P1
:
(8 Cplx.)
RUN2
pKi= 5.9
141
9.1
2.1
103904283
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(8 Cplx.)
RUN2
pKi= 6.8
142
7.4
1.5
103904210
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(9 Cplx.)
RUN2
pKi= 5.4
143
6.7
2.3
103904861
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
144
7.4
2.0
103904275
3EFL
(55%)
+
706_B_4
QMean=0.493
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
145
8.3
2.1
103904995
3EFL
(55%)
+
706_B_4
QMean=0.493
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
146
9.0
2.4
103905488
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(8 Cplx.)
RUN2
pKi= 7
147
6.2
2.1
103905275
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(4 Cplx.)
RUN2
pKi= 5.1
148
7.4
2.0
103904272
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
149
6.6
1.9
103904593
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
150
8.5
1.8
103905313
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(6 Cplx.)
RUN2
pKi= 8.3
151
7.3
1.0
103904904
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(8 Cplx.)
RUN2
pKi= 6.3
152
7.0
1.5
103904657
2P2I
(55%)
+
608_D_4
QMean=0.487
P1
:
(5 Cplx.)
RUN2
pKi= 6
153
7.6
2.4
103904291
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(4 Cplx.)
RUN2
pKi= 6.8
154
8.4
1.9
103904290
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(10 Cplx.)
RUN2
pKi= 7.3
155
5.9
2.4
103904327
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
156
9.7
1.4
103904322
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
157
7.7
2.2
103904856
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(3 Cplx.)
RUN2
pKi= 6
158
7.4
2.3
103904338
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
159
5.1
2.3
103904707
3TT0
(99%)
+
07J_B_7
QMean=0.534
P1
:
(6 Cplx.)
RUN2
pKi= 4.6
160
6.4
2.2
103905397
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(15 Cplx.)
RUN2
pKi= 5.6
161
7.4
1.4
103905525
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(12 Cplx.)
RUN2
pKi= 5.5
162
9.5
1.5
103904326
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(5 Cplx.)
RUN2
pKi= 8.1
163
8.1
2.3
3WJ6_LWJ
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(8 Cplx.)
VALID2
-= -
164
4.6
1.4
103905486
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(6 Cplx.)
RUN2
pKi= 5.4
165
7.7
2.4
103904356
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(6 Cplx.)
RUN2
pKi= 5.5
166
8.1
2.4
103904796
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(7 Cplx.)
RUN2
pKi= 7.2
167
8.6
1.4
103904811
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
168
6.3
1.5
103904471
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
169
5.9
1.4
103905327
2I0V
(55%)
+
6C3_A_3
QMean=0.536
P1
:
(11 Cplx.)
RUN2
pKi= 4.3
170
7.8
2.2
103904313
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P1
:
(7 Cplx.)
RUN2
pKi= 8.1
171
8.1
2.4
103904592
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(4 Cplx.)
RUN2
pKi= 7
172
7.3
2.0
103904405
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(6 Cplx.)
RUN2
pKi= 7
173
8.2
1.0
103904366
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(8 Cplx.)
RUN2
pKi= 6.6
174
7.4
2.2
103904404
3CPB
(55%)
+
C92_B_4
QMean=0.474
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
175
8.5
1.9
103905159
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
176
6.9
1.9
103904649
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
177
7.8
1.4
103904206
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(7 Cplx.)
RUN2
pKi= 5.3
178
7.3
1.9
103905531
2PWL
(86%)
+
ABG_B_8
QMean=0.534
P1
:
(4 Cplx.)
RUN2
pKi= 7.4
179
9.2
1.6
103905642
3CPC
(55%)
+
C52_A_3
QMean=0.481
P1
:
(10 Cplx.)
RUN2
pKi= 6.8
180
8.1
1.5
103904282
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
181
8.1
1.4
103904295
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(9 Cplx.)
RUN2
pKi= 6.8
182
7.5
1.4
103905111
3CP9
(55%)
+
C19_B_4
QMean=0.479
P1
:
(14 Cplx.)
RUN2
pKi= 5.9
183
8.1
1.7
103905340
3U6J
(54%)
+
03X_A_2
QMean=0.458
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
184
6.7
1.5
103905065
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(3 Cplx.)
RUN2
pKi= 5.3
185
8.3
1.3
103905119
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P1
:
(5 Cplx.)
RUN2
pKi= 5.5
186
9.0
1.5
103904462
2XIR
(55%)
+
00J_A_2
QMean=0.459
P1
:
(5 Cplx.)
RUN2
pKi= 6.9
187
7.6
2.3
103904349
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(5 Cplx.)
RUN2
pKi= 5.3
188
8.4
1.3
103904599
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P1
:
(4 Cplx.)
RUN2
pKi= 7.1
189
7.0
2.1
103904203
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(8 Cplx.)
RUN2
pKi= 5.4
190
8.5
1.9
103904296
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(8 Cplx.)
RUN2
pKi= 7.8
191
10.5
1.8
103904325
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(8 Cplx.)
RUN2
pKi= 6.8
192
8.0
1.7
103905578
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
193
9.5
1.8
103904323
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
194
5.9
1.1
103905089
3EWH
(54%)
+
K11_A_2
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 4.8
195
7.0
2.3
103904403
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
196
8.1
1.9
103905214
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
197
6.7
1.3
103905641
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P1
:
(4 Cplx.)
RUN2
pKi= 6
198
7.1
1.3
103904818
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
199
7.7
1.6
103904857
2XIR
(55%)
+
00J_A_2
QMean=0.459
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
200
7.1
2.1
103904604
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
201
8.1
2.0
103905673
3CPC
(55%)
+
C52_A_3
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
202
6.4
1.9
103905182
4F65
(99%)
+
0S9_A_10
QMean=0.579
P2
:
(4 Cplx.)
RUN2
pKi= 5.6
203
7.2
1.5
103904370
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
204
7.1
2.4
103904953
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P2
:
(3 Cplx.)
RUN2
pKi= 7.6
205
8.7
1.8
103904304
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
206
7.3
1.9
103905371
2XIR
(55%)
+
00J_A_2
QMean=0.459
P2
:
(7 Cplx.)
RUN2
pKi= 5.4
207
4.9
0.8
103904935
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
208
5.2
2.4
103904940
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
209
6.1
1.7
103905509
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
210
6.0
0.9
103905238
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(4 Cplx.)
RUN2
pKi= 5.3
211
6.9
1.6
103904347
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(5 Cplx.)
RUN2
pKi= 6.2
212
4.9
2.3
103905414
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(4 Cplx.)
RUN2
pKi= 5.8
213
6.1
2.2
103904947
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P2
:
(5 Cplx.)
RUN2
pKi= 5.4
214
7.4
1.7
103905428
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
215
3.7
2.1
103905282
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P2
:
(6 Cplx.)
RUN2
pKi= 4.5
216
6.3
1.9
103904441
3CP9
(55%)
+
C19_B_4
QMean=0.479
P2
:
(6 Cplx.)
RUN2
pKi= 6.2
217
4.9
1.5
103904802
3B2T
(87%)
+
M33_A_7
QMean=0.527
P2
:
(3 Cplx.)
RUN2
pKi= 4.1
218
6.9
1.8
103905463
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
219
8.0
1.9
103904991
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P2
:
(4 Cplx.)
RUN2
pKi= 8
220
7.3
1.8
103904752
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
221
7.4
1.9
103905429
3TT0
(99%)
+
07J_B_7
QMean=0.534
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
222
6.8
1.7
103904359
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(6 Cplx.)
RUN2
pKi= 6.6
223
7.1
2.2
103904402
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P2
:
(3 Cplx.)
RUN2
pKi= 8.1
224
7.7
1.3
103904801
3EWH
(54%)
+
K11_A_2
QMean=0.500
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
225
4.0
2.2
103905040
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(4 Cplx.)
RUN2
pKi= 4.2
226
7.6
1.9
103904505
3CPB
(55%)
+
C92_B_4
QMean=0.474
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
227
6.5
2.1
103905219
3VNT
(55%)
+
0JA_A_2
QMean=0.478
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
228
5.0
2.0
103905073
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P2
:
(4 Cplx.)
RUN2
pKi= 4.2
229
6.4
2.1
103904465
2XIR
(55%)
+
00J_A_2
QMean=0.459
P2
:
(5 Cplx.)
RUN2
pKi= 5.7
230
6.8
1.3
103904196
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
231
6.9
1.8
103904361
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P2
:
(3 Cplx.)
RUN2
pKi= 6
232
5.8
1.9
103904871
1AGW
(99%)
+
SU2_A_4
QMean=0.560
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
233
7.0
1.3
103904381
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
234
5.8
0.4
103905116
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(6 Cplx.)
RUN2
pKi= 6.1
235
5.4
0.7
103904198
3EWH
(54%)
+
K11_A_2
QMean=0.500
P2
:
(4 Cplx.)
RUN2
pKi= 4.6
236
7.3
2.3
103904346
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P2
:
(4 Cplx.)
RUN2
pKi= 7.4
237
3.2
1.9
103905297
3EWH
(54%)
+
K11_A_2
QMean=0.500
P2
:
(3 Cplx.)
RUN2
pKi= 4.5
238
6.8
1.7
103904284
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
239
6.0
2.0
103905044
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P2
:
(3 Cplx.)
RUN2
pKi= 6
240
5.6
1.4
103904937
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
241
8.8
1.4
103904308
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P2
:
(3 Cplx.)
RUN2
pKi= 7.9
242
9.0
2.0
103904294
3EWH
(54%)
+
K11_A_2
QMean=0.500
P2
:
(5 Cplx.)
RUN2
pKi= 7.6
243
8.1
1.8
103904740
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
244
7.8
1.6
103905464
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
245
6.6
1.6
103904379
3TT0
(99%)
+
07J_B_7
QMean=0.534
P2
:
(4 Cplx.)
RUN2
pKi= 5.4
246
7.7
1.4
103904596
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
247
10.2
1.4
103904320
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(4 Cplx.)
RUN2
pKi= 7.5
248
6.3
1.5
103905114
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
249
9.7
1.5
103904321
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P2
:
(6 Cplx.)
RUN2
pKi= 7.7
250
7.1
1.3
103904600
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
251
8.8
1.6
103904511
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
252
8.1
2.4
103904739
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
253
7.1
2.3
103905177
2P2I
(55%)
+
608_D_4
QMean=0.487
P2
:
(3 Cplx.)
RUN2
pKi= 6
254
8.5
1.6
103905064
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
255
8.3
1.2
103905251
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P2
:
(4 Cplx.)
RUN2
pKi= 7.1
256
5.3
1.6
103905032
4F65
(99%)
+
0S9_A_10
QMean=0.579
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
257
5.9
1.3
103904611
3CPC
(55%)
+
C52_A_3
QMean=0.481
P2
:
(5 Cplx.)
RUN2
pKi= 5.7
258
5.7
1.3
103905230
3CP9
(55%)
+
C19_B_4
QMean=0.479
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
259
8.9
1.8
103904479
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
260
6.5
2.1
103905615
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
261
5.1
0.7
103905374
3CPC
(55%)
+
C52_A_3
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 5
262
4.3
2.0
103905462
4F65
(99%)
+
0S9_A_10
QMean=0.579
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
263
6.4
1.8
103905354
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(4 Cplx.)
RUN2
pKi= 5.4
264
8.7
1.5
103904484
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
265
8.1
1.3
103904334
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
266
6.5
1.7
103905276
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
267
8.2
1.4
103904274
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 7.8
268
6.6
1.3
103905055
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(4 Cplx.)
RUN2
pKi= 7
269
7.3
1.8
103904190
3CPC
(55%)
+
C52_A_3
QMean=0.481
P2
:
(4 Cplx.)
RUN2
pKi= 5.4
270
8.6
1.4
103904278
3EWH
(54%)
+
K11_A_2
QMean=0.500
P2
:
(5 Cplx.)
RUN2
pKi= 5.5
271
6.6
1.7
103905532
3GQL
(99%)
+
GQL_C_6
QMean=0.574
P2
:
(3 Cplx.)
RUN2
pKi= 7
272
7.3
1.7
103904318
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
273
5.4
1.8
103904890
3CPC
(55%)
+
C52_A_3
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
274
4.7
1.1
103905031
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P2
:
(4 Cplx.)
RUN2
pKi= 4.1
275
7.7
1.3
103904470
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
276
5.2
1.9
103905087
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
277
5.8
2.0
103904880
3TT0
(99%)
+
07J_B_7
QMean=0.534
P2
:
(3 Cplx.)
RUN2
pKi= 5.5
278
6.4
2.1
103905575
3U6J
(54%)
+
03X_A_2
QMean=0.458
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
279
6.4
2.1
103905604
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
280
7.9
1.6
103904917
3B2T
(87%)
+
M33_A_7
QMean=0.527
P3
:
(3 Cplx.)
RUN2
pKi= 5.9
281
5.9
1.3
103905041
2XIR
(55%)
+
00J_A_2
QMean=0.459
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
282
6.8
1.7
103904281
2FGI
(99%)
+
PD1_C_3
QMean=0.527
P3
:
(3 Cplx.)
RUN2
pKi= 7.2
283
5.4
0.9
103904504
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P3
:
(3 Cplx.)
RUN2
pKi= 5.8
284
5.9
1.0
103905576
3EWH
(54%)
+
K11_A_2
QMean=0.500
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
285
6.1
2.4
103904595
3TT0
(99%)
+
07J_B_7
QMean=0.534
P3
:
(3 Cplx.)
RUN2
pKi= 7.5
286
8.2
1.8
103904603
4ASD
(55%)
+
BAX_A_2
QMean=0.457
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
287
6.0
1.7
103905318
3GQL
(99%)
+
GQL_C_6
QMean=0.574
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
288
6.0
0.8
103905504
4AOJ
(38%)
+
V4Z_A_4
QMean=0.540
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
289
6.9
1.4
103904512
3CP9
(55%)
+
C19_B_4
QMean=0.479
P3
:
(3 Cplx.)
RUN2
pKi= 5.4
290
4.4
1.6
103905439
3RHX
(99%)
+
3RH_A_6
QMean=0.570
P3
:
(3 Cplx.)
RUN2
pKi= 4.2
291
6.9
1.2
103905113
1FGI
(99%)
+
SU1_A_4
QMean=0.598
P3
:
(3 Cplx.)
RUN2
pKi= 6
292
3.9
2.3
103905412
3EWH
(54%)
+
K11_A_2
QMean=0.500
P3
:
(4 Cplx.)
RUN2
pKi= 4
293
6.2
1.8
103904193
3EWH
(54%)
+
K11_A_2
QMean=0.500
P3
:
(3 Cplx.)
RUN2
pKi= 5.7
294
7.4
1.4
103904333
3U6J
(54%)
+
03X_A_2
QMean=0.458
P3
:
(3 Cplx.)
RUN2
pKi= 6.1
295
5.4
1.9
103905639
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P3
:
(4 Cplx.)
RUN2
pKi= 7.2
296
6.4
2.1
103905631
4AG8
(55%)
+
AXI_A_2
QMean=0.465
P3
:
(3 Cplx.)
RUN2
pKi= 5.6
297
4.0
1.6
103905398
3CPC
(55%)
+
C52_A_3
QMean=0.481
P4
:
(3 Cplx.)
RUN2
pKi= 6.1
298
7.2
2.1
103904636
3VO3
(55%)
+
0KF_A_2
QMean=0.454
P4
:
(3 Cplx.)
RUN2
pKi= 5.6
299
7.4
2.1
103904189
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P4
:
(3 Cplx.)
RUN2
pKi= 5.7
300
5.4
1.5
103904854
3C4F
(99%)
+
C4F_A_3
QMean=0.584
P4
:
(3 Cplx.)
RUN2
pKi= 4.7
301
5.5
1.4
103905009
3CP9
(55%)
+
C19_B_4
QMean=0.479
P4
:
(3 Cplx.)
RUN2
pKi= 5.4
302
9.0
1.4
103904315
3BE2
(55%)
+
RAJ_A_2
QMean=0.471
P4
:
(3 Cplx.)
RUN2
pKi= 7.3
303
5.7
2.3
103905043
3JS2
(99%)
+
VM1_A_3
QMean=0.591
P5
:
(3 Cplx.)
RUN2
pKi= 6.5
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.56
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