Screening Results : Docking based on all models from entry : PF00105_RXRG_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
31883
31891
31892
50032667
50032671
50032675
50033079
50052033
50052588
50052589
50052590
50061615
50061617
50061618
50061619
50061624
50074294
50074295
50074296
50074297
50074298
50074299
50074300
50074301
50074302
50074304
50074306
50074307
50075366
50075367
50083046
50083048
50101444
50101445
50101446
50122348
50122349
50122350
50122351
50122352
50129720
50132580
50135450
50135451
50135453
50135454
50135455
50135456
50135457
50135458
50135459
50135460
50135461
50135462
50135463
50141589
50141590
50141591
50141592
50141594
50141595
50141596
50141597
50141598
50141599
50141600
50141603
50141604
50179113
50179114
50179115
50179116
50179117
50179118
50179119
50179120
50179121
50179122
50179123
50179124
50179125
50179127
50179128
50179129
50179130
50179131
50287964
50290659
50290660
50290661
50408854
50408855
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.2
0.1
50032667
4K6I
(87%)
+
9RA_A_3
QMean=0.604
P1
:
(19 Cplx.)
BDB
pKi= -6.5
2
9.1
0.1
50033079
1MZN
(86%)
+
BM6_I_9
QMean=0.621
P1
:
(17 Cplx.)
BDB
pKi= -6.5
3
8.6
0.2
50290661
1MZN
(86%)
+
BM6_I_9
QMean=0.621
P1
:
(15 Cplx.)
BDB
pKi= -6.8
4
9.1
0.3
50074295
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(19 Cplx.)
BDB
pKi= -8.1
5
9.5
0.4
50074299
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(19 Cplx.)
BDB
pKi= -7.4
6
9.4
0.4
50074307
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(15 Cplx.)
BDB
pKi= -7.2
7
9.2
0.4
50074306
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(19 Cplx.)
BDB
pKi= -7.1
8
8.7
0.5
50052589
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(17 Cplx.)
BDB
pKi= -7.9
9
8.4
0.5
50074302
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(18 Cplx.)
BDB
pKi= -5.3
10
9.3
0.5
50074301
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(18 Cplx.)
BDB
pKi= -6.3
11
9.4
0.5
50032675
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(19 Cplx.)
BDB
pKi= -7.5
12
9.5
0.5
50032671
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(11 Cplx.)
BDB
pKi= -7.9
13
9.0
0.5
50074296
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(14 Cplx.)
BDB
pKi= -6.5
14
9.8
0.6
50179123
4K6I
(87%)
+
9RA_A_3
QMean=0.604
P1
:
(19 Cplx.)
BDB
pKi= -6.2
15
9.4
0.6
50179125
4K4J
(87%)
+
1O8_A_3
QMean=0.612
P1
:
(11 Cplx.)
BDB
pKi= -6.8
16
10.1
0.7
50101445
4M8E
(87%)
+
29V_A_3
QMean=0.591
P1
:
(18 Cplx.)
BDB
pKd= -8.4
17
10.0
0.7
50179124
4K4J
(87%)
+
1O8_A_3
QMean=0.612
P1
:
(16 Cplx.)
BDB
pKi= -6.7
18
8.9
0.7
50074297
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P1
:
(19 Cplx.)
BDB
pKi= -7.9
19
9.0
0.7
50179115
4POH
(87%)
+
2VR_A_3
QMean=0.611
P2
:
(8 Cplx.)
BDB
pKi= -6.8
20
10.4
0.7
50141591
3A9E
(85%)
+
754_A_4
QMean=0.519
P2
:
(9 Cplx.)
BDB
pKi= -7.6
21
9.5
0.7
50141595
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(19 Cplx.)
BDB
pKi= -7.7
22
8.8
0.7
50074300
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(19 Cplx.)
BDB
pKi= -8.3
23
8.9
0.7
50179117
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(20 Cplx.)
BDB
pKi= -6.9
24
9.8
0.7
50101446
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(18 Cplx.)
BDB
pKd= -6.7
25
9.4
0.8
50129720
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(16 Cplx.)
BDB
pKi= -7.2
26
9.8
0.8
50179120
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(13 Cplx.)
BDB
pKi= -7.0
27
9.4
0.8
50122348
4POJ
(87%)
+
2VP_A_3
QMean=0.612
P2
:
(7 Cplx.)
BDB
pKd= -7.8
28
9.7
0.8
50122352
4POJ
(87%)
+
2VP_A_3
QMean=0.612
P1
:
(20 Cplx.)
BDB
pKd= -6.8
29
8.8
0.8
50135459
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(19 Cplx.)
BDB
pKi= -7.6
30
9.7
0.8
50141597
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(19 Cplx.)
BDB
pKi= -7.4
31
8.2
0.8
31892
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(11 Cplx.)
BDB
pKi= -7.8
32
9.9
0.8
50179131
4K6I
(87%)
+
9RA_A_3
QMean=0.604
P1
:
(17 Cplx.)
BDB
pKi= -7.0
33
9.6
0.8
50122351
4PP3
(87%)
+
2VZ_A_3
QMean=0.609
P1
:
(14 Cplx.)
BDB
pKd= -8.1
34
8.5
0.8
50075366
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(17 Cplx.)
BDB
pKd= -7.5
35
9.5
0.8
50179122
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(20 Cplx.)
BDB
pKi= -6.9
36
9.2
0.8
50179113
4PP3
(87%)
+
2VZ_A_3
QMean=0.609
P1
:
(13 Cplx.)
BDB
pKi= -7.5
37
9.4
0.8
50179114
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(16 Cplx.)
BDB
pKi= -7.4
38
8.0
0.8
50287964
2P1V
(86%)
+
5TN_A_3
QMean=0.640
P1
:
(17 Cplx.)
BDB
pKd= -7.4
39
7.1
0.8
50052588
2ZXZ
(86%)
+
P26_A_3
QMean=0.583
P3
:
(4 Cplx.)
BDB
pKi= -8.4
40
9.3
0.8
50179128
4RME
(87%)
+
3T2_A_3
QMean=0.596
P1
:
(17 Cplx.)
BDB
pKi= -6.7
41
10.7
0.9
50141598
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(20 Cplx.)
BDB
pKi= -7.5
42
8.9
0.9
50074304
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(18 Cplx.)
BDB
pKi= -7.2
43
9.7
0.9
50290659
4K4J
(87%)
+
1O8_A_3
QMean=0.612
P1
:
(19 Cplx.)
BDB
pKi= -8.2
44
9.0
0.9
50135463
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(13 Cplx.)
BDB
pKi= -7.6
45
10.0
0.9
50141604
4PP5
(87%)
+
2W0_A_3
QMean=0.608
P1
:
(14 Cplx.)
BDB
pKi= -7.7
46
9.4
0.9
50290660
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(19 Cplx.)
BDB
pKi= -8.3
47
10.1
0.9
50141603
4PP3
(87%)
+
2VZ_A_3
QMean=0.609
P1
:
(18 Cplx.)
BDB
pKi= -6.3
48
10.0
0.9
50141589
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(19 Cplx.)
BDB
pKi= -7.6
49
10.6
0.9
50179129
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P3
:
(3 Cplx.)
BDB
pKi= -6.7
50
9.6
1.0
50179118
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(14 Cplx.)
BDB
pKi= -7.0
51
7.9
1.0
50061617
2P1V
(86%)
+
5TN_A_3
QMean=0.640
P1
:
(20 Cplx.)
BDB
pKi= -5.7
52
9.2
1.0
50179119
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(20 Cplx.)
BDB
pKi= -7.5
53
10.3
1.0
50141592
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(19 Cplx.)
BDB
pKi= -7.3
54
8.7
1.1
50179130
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(19 Cplx.)
BDB
pKi= -6.5
55
10.7
1.1
50122350
4K4J
(87%)
+
1O8_A_3
QMean=0.612
P1
:
(15 Cplx.)
BDB
pKd= -8.2
56
9.7
1.1
50141590
4PP3
(87%)
+
2VZ_A_3
QMean=0.609
P2
:
(8 Cplx.)
BDB
pKi= -7.9
57
8.8
1.1
50135455
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(19 Cplx.)
BDB
pKi= -7.6
58
8.0
1.1
50075367
1MV9
(86%)
+
HXA_E_5
QMean=0.623
P2
:
(7 Cplx.)
BDB
pKd= -7.9
59
8.0
1.1
50135453
3A9E
(85%)
+
754_A_4
QMean=0.519
P2
:
(9 Cplx.)
BDB
pKi= -8.3
60
8.1
1.1
50083048
2P1V
(86%)
+
5TN_A_3
QMean=0.640
P1
:
(18 Cplx.)
BDB
pKd= -5.9
61
10.3
1.1
50141600
4PP3
(87%)
+
2VZ_A_3
QMean=0.609
P1
:
(18 Cplx.)
BDB
pKi= -7.3
62
8.8
1.1
50135450
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(12 Cplx.)
BDB
pKi= -8.0
63
9.3
1.1
50179116
1MZN
(86%)
+
BM6_I_9
QMean=0.621
P1
:
(20 Cplx.)
BDB
pKi= -8.0
64
7.6
1.1
50052590
3PCU
(87%)
+
LX8_A_3
QMean=0.616
P2
:
(7 Cplx.)
BDB
pKi= -7.8
65
9.2
1.1
50074294
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(16 Cplx.)
BDB
pKi= -6.6
66
8.9
1.2
50061619
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(20 Cplx.)
BDB
pKi= -6.0
67
8.5
1.2
50135454
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(17 Cplx.)
BDB
pKi= -7.6
68
8.9
1.2
50101444
4M8E
(87%)
+
29V_A_3
QMean=0.591
P1
:
(19 Cplx.)
BDB
pKd= -8.7
69
8.4
1.2
50135462
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(10 Cplx.)
BDB
pKi= -8.5
70
10.1
1.2
50179121
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(19 Cplx.)
BDB
pKi= -6.7
71
10.1
1.2
50141596
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(19 Cplx.)
BDB
pKi= -7.7
72
8.5
1.2
50135460
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(17 Cplx.)
BDB
pKi= -8.3
73
7.2
1.3
50083046
1H9U
(83%)
+
LG2_B_8
QMean=0.525
P1
:
(10 Cplx.)
BDB
pKd= -5.1
74
8.5
1.3
50135458
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(18 Cplx.)
BDB
pKi= -7.9
75
8.2
1.3
50061618
3PCU
(87%)
+
LX8_A_3
QMean=0.616
P1
:
(18 Cplx.)
BDB
pKi= -6.2
76
9.4
1.4
50179127
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(17 Cplx.)
BDB
pKi= -6.5
77
9.8
1.4
50141594
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(17 Cplx.)
BDB
pKi= -6.5
78
7.3
1.4
50074298
4RFW
(87%)
+
3RB_A_3
QMean=0.593
P1
:
(16 Cplx.)
BDB
pKi= -6.4
79
8.9
1.4
50135457
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(16 Cplx.)
BDB
pKi= -7.4
80
9.0
1.4
50135456
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(14 Cplx.)
BDB
pKi= -7.3
81
9.5
1.4
50141599
4POJ
(87%)
+
2VP_A_3
QMean=0.612
P1
:
(12 Cplx.)
BDB
pKi= -7.7
82
9.2
1.5
50122349
4K6I
(87%)
+
9RA_A_3
QMean=0.604
P1
:
(20 Cplx.)
BDB
pKd= -7.7
83
7.5
1.5
50052033
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(10 Cplx.)
BDB
pKi= -7.2
84
6.5
1.6
31891
4RMC
(87%)
+
3SV_A_3
QMean=0.594
P2
:
(6 Cplx.)
BDB
pKd= -7.2
85
6.6
1.6
31883
4RMC
(87%)
+
3SV_A_3
QMean=0.594
P2
:
(7 Cplx.)
BDB
pKd= -6.5
86
8.7
1.6
50135451
4M8H
(87%)
+
R4M_A_3
QMean=0.605
P1
:
(18 Cplx.)
BDB
pKi= -8.1
87
8.2
1.6
50132580
4POH
(87%)
+
2VR_A_3
QMean=0.611
P1
:
(12 Cplx.)
BDB
pKi= -7.9
88
8.3
1.8
50135461
3A9E
(85%)
+
754_A_4
QMean=0.519
P1
:
(6 Cplx.)
BDB
pKi= -8.6
89
6.1
1.8
50061624
3FUG
(86%)
+
2E3_A_3
QMean=0.632
P2
:
(5 Cplx.)
BDB
pKi= -6.0
90
7.2
1.9
50061615
2P1T
(86%)
+
3TN_A_3
QMean=0.613
P1
:
(11 Cplx.)
BDB
pKi= -5.8
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.17
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