Screening Results : Docking based on all models from entry : PGFRB_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
103904190
103904199
103904200
103904269
103904270
103904271
103904272
103904273
103904274
103904276
103904282
103904291
103904323
103904324
103904325
103904326
103904340
103904371
103904402
103904404
103904405
103904406
103904441
103904442
103904444
103904455
103904456
103904457
103904458
103904459
103904462
103904506
103904591
103904598
103904600
103904601
103904636
103904644
103904671
103904684
103904706
103904707
103904735
103904739
103904740
103904781
103904782
103904786
103904801
103904806
103904814
103904818
103904825
103904826
103904828
103904854
103904860
103904861
103904862
103904865
103904867
103904869
103904905
103904925
103904934
103904935
103904976
103904977
103904983
103904992
103905004
103905008
103905029
103905056
103905083
103905087
103905093
103905109
103905110
103905111
103905115
103905116
103905122
103905177
103905179
103905200
103905213
103905214
103905226
103905274
103905282
103905295
103905297
103905306
103905313
103905326
103905327
103905330
103905331
103905338
103905340
103905342
103905345
103905346
103905353
103905368
103905379
103905397
103905401
103905406
103905446
103905486
103905504
103905508
103905521
103905531
103905536
103905539
103905543
103905544
103905548
103905552
103905558
103905560
103905573
103905574
103905579
103905586
103905596
103905601
103905604
103905607
103905615
103905620
103905622
103905639
103905642
103905648
103905652
103905654
103905668
103905670
103905680
103905682
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
8.9
0.4
103904276
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(6 Cplx.)
RUN1
pKi= 9.9
2
8.3
0.2
103904276
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN2
pKi= 9.9
3
7.5
2.0
103904272
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 9.3
4
9.7
1.3
103904273
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 9.3
5
10.7
1.2
103904273
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 9.3
6
10.3
1.0
103904272
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 9.3
7
7.5
1.8
103905539
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(5 Cplx.)
RUN1
pKi= 9.2
8
7.0
1.7
103905539
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(6 Cplx.)
RUN2
pKi= 9.2
9
8.9
2.2
103904323
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 9.1
10
6.7
1.5
103904323
3C1X
(43%)
+
CKK_A_2
QMean=0.441
P1
:
(3 Cplx.)
RUN1
pKi= 9.1
11
10.7
1.6
103904326
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 9
12
9.9
1.4
103904326
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 9
13
10.0
0.4
103904326
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 9
14
8.1
2.4
103905670
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 9
15
8.6
1.9
103904291
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 8.9
16
9.4
0.3
103904269
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 8.5
17
10.8
0.3
103904269
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 8.5
18
10.2
1.4
103904269
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 8.5
19
8.8
2.3
103905642
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 8.4
20
6.5
2.0
103904340
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 8.4
21
9.4
2.0
103905642
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN0
pKi= 8.4
22
7.6
1.3
103904402
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 8.4
23
9.1
0.3
103904340
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 8.4
24
6.9
2.2
103904402
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN0
pKi= 8.4
25
10.8
1.1
103904270
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN2
pKi= 8.1
26
11.4
1.3
103904270
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 8.1
27
10.7
0.9
103904270
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 8.1
28
10.6
1.6
103904325
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
29
9.5
1.9
103905330
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 8
30
10.4
1.1
103904860
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 7.7
31
8.8
0.8
103904371
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(5 Cplx.)
RUN2
pKi= 7.6
32
7.2
2.4
103904371
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(4 Cplx.)
RUN1
pKi= 7.6
33
7.0
2.3
103904406
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
34
3.9
2.0
103905111
3EWH
(55%)
+
K11_A_2
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 7.4
35
6.7
1.4
103904600
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN2
pKi= 7.3
36
3.0
1.5
103905639
3C1X
(43%)
+
CKK_A_2
QMean=0.441
P1
:
(3 Cplx.)
RUN1
pKi= 7.2
37
7.0
2.3
103904739
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 7.2
38
7.5
2.3
103904591
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
39
6.1
1.4
103904591
3EFL
(55%)
+
706_B_4
QMean=0.512
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
40
5.0
2.4
103904405
3L8V
(43%)
+
L8V_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
41
5.1
1.4
103905331
3EWH
(55%)
+
K11_A_2
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
42
5.3
2.4
103905116
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
43
5.3
2.0
103905116
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
44
6.1
1.9
103904781
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(5 Cplx.)
RUN1
pKi= 6.7
45
6.8
1.0
103905446
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 6.7
46
7.3
2.0
103905446
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN0
pKi= 6.7
47
7.4
1.3
103904404
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
48
8.5
0.9
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
49
8.1
1.3
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
50
8.4
1.3
103905586
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
51
6.8
1.8
103904404
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
52
5.6
2.3
103905573
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
53
7.0
2.4
103905109
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
54
4.1
1.6
103905109
2P2I
(55%)
+
608_D_4
QMean=0.466
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
55
5.7
2.4
103904854
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
56
8.8
2.4
103904992
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
57
7.0
1.8
103905622
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
58
5.4
2.1
103904854
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
59
5.1
1.1
103904782
3L8V
(43%)
+
L8V_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
60
7.8
2.5
103904782
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
61
7.6
0.4
103904458
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
62
7.7
0.6
103904458
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
63
5.9
2.0
103904854
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
64
8.2
1.7
103904992
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
65
7.9
0.5
103904455
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
66
6.2
2.0
103904200
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
67
7.8
0.6
103904455
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
68
7.4
1.4
103904457
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
69
5.0
1.4
103905110
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
70
5.3
1.9
103904441
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
71
5.2
2.5
103905668
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(4 Cplx.)
RUN1
pKi= 6
72
7.4
1.2
103904456
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
73
9.6
0.8
103904828
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
74
5.3
2.0
103904456
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
75
9.2
1.4
103904706
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
76
8.9
1.7
103904706
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
77
8.5
1.5
103904706
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
78
8.3
1.2
103904740
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
79
5.8
0.7
103905083
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
80
6.4
2.2
103905226
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
81
8.5
0.9
103904740
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
82
5.3
1.4
103905226
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
83
6.4
1.1
103904925
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
84
8.5
1.0
103904740
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
85
7.6
1.5
103905326
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
86
6.0
2.2
103905200
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN1
pKi= 5.2
87
6.4
2.4
103905029
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 5.2
88
5.6
1.5
103905029
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
89
6.5
2.4
103905200
1T46
(60%)
+
STI_A_4
QMean=0.479
P1
:
(4 Cplx.)
RUN2
pKi= 5.2
90
6.2
1.5
103905029
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 5.2
91
6.1
1.5
103905008
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 5.1
92
6.5
2.4
103905008
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
93
6.4
2.4
103905579
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
94
5.2
1.2
103905122
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 4.9
95
6.3
1.5
103905401
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 4.7
96
5.6
1.5
103905401
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 4.7
97
6.3
2.3
103905401
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN0
pKi= 4.7
98
4.8
1.6
103904735
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN1
pKi= 4.6
99
3.1
1.8
103905297
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN2
pKi= 4.5
100
5.5
1.6
103905295
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(4 Cplx.)
RUN2
pKi= 4.3
101
5.0
1.5
103905327
3VHE
(49%)
+
42Q_A_2
QMean=0.499
P1
:
(3 Cplx.)
RUN2
pKi= 4.3
102
3.8
0.9
103905353
3VHK
(46%)
+
BPK_A_2
QMean=0.483
P1
:
(3 Cplx.)
RUN1
pKi= 4.2
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.59
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