Screening Results : Docking based on all models from entry : PF00105_RXRB_MOUSE
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All_Studies
BDB_LIG
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
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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
31891
31892
50032662
50032664
50032665
50032666
50032667
50032668
50032671
50032674
50032675
50032676
50032677
50033079
50040010
50040011
50040012
50040013
50040014
50040015
50040016
50040017
50040018
50040019
50040020
50040021
50040023
50040024
50052957
50052958
50052959
50052960
50052961
50052962
50122348
50122349
50122350
50122351
50122352
50141590
50141593
50141594
50141605
50290186
50290187
50290188
50290189
50290190
50290191
50290192
50290193
50290194
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.3
0.1
50032676
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(20 Cplx.)
BDB
pKd= -6.1
2
9.2
0.1
50033079
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(17 Cplx.)
BDB
pKd= -6.7
3
9.4
0.1
50052958
4K6I
(88%)
+
9RA_A_3
QMean=0.585
P1
:
(19 Cplx.)
BDB
pKd= -6.5
4
9.8
0.2
50032677
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -6.8
5
9.1
0.2
50040018
4K6I
(88%)
+
9RA_A_3
QMean=0.585
P1
:
(20 Cplx.)
BDB
pKd= -6.8
6
9.1
0.2
50052961
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(18 Cplx.)
BDB
pKd= -5.5
7
9.4
0.2
50032675
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKi= -7.7
8
9.3
0.3
50032667
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -6.7
9
9.4
0.3
50040014
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -7.0
10
9.4
0.3
50032666
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -7.2
11
9.2
0.3
50040012
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(20 Cplx.)
BDB
pKd= -7.5
12
9.4
0.4
50032662
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(20 Cplx.)
BDB
pKd= -6.5
13
9.3
0.4
50040013
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -7.0
14
8.7
0.4
50290189
2P1V
(86%)
+
5TN_A_3
QMean=0.626
P1
:
(19 Cplx.)
BDB
pKi= -6.3
15
9.2
0.4
50040024
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -6.1
16
9.5
0.4
50040016
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -7.4
17
9.1
0.5
50290188
2P1U
(86%)
+
4TN_A_3
QMean=0.622
P1
:
(19 Cplx.)
BDB
pKi= -8.0
18
9.5
0.5
50032674
4K6I
(88%)
+
9RA_A_3
QMean=0.585
P1
:
(10 Cplx.)
BDB
pKd= -6.7
19
9.2
0.5
50040023
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -6.0
20
8.6
0.5
50052959
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(17 Cplx.)
BDB
pKd= -5.0
21
9.1
0.5
50052962
4K6I
(88%)
+
9RA_A_3
QMean=0.585
P1
:
(19 Cplx.)
BDB
pKd= -7.1
22
8.6
0.6
50032665
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(20 Cplx.)
BDB
pKd= -6.1
23
8.2
0.6
50052957
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(17 Cplx.)
BDB
pKd= -5.4
24
8.4
0.6
50052960
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -6.0
25
9.1
0.6
50290194
4POJ
(88%)
+
2VP_A_3
QMean=0.603
P1
:
(20 Cplx.)
BDB
pKi= -8.0
26
7.6
0.6
50032668
1H9U
(98%)
+
LG2_C_11
QMean=0.568
P2
:
(6 Cplx.)
BDB
pKd= -6.8
27
10.0
0.7
50122351
4K4J
(88%)
+
1O8_A_3
QMean=0.605
P1
:
(19 Cplx.)
BDB
pKd= -8.2
28
9.7
0.7
50032664
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(9 Cplx.)
BDB
pKd= -7.2
29
9.6
0.8
50032671
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(11 Cplx.)
BDB
pKi= -7.0
30
9.4
0.8
50122348
4POJ
(88%)
+
2VP_A_3
QMean=0.603
P1
:
(12 Cplx.)
BDB
pKd= -8.1
31
8.2
0.8
31892
4M8H
(88%)
+
R4M_A_3
QMean=0.617
P1
:
(11 Cplx.)
BDB
pKd= -7.8
32
9.5
0.8
50040019
1H9U
(98%)
+
LG2_C_11
QMean=0.568
P1
:
(20 Cplx.)
BDB
pKd= -6.4
33
9.7
0.8
50290191
4M8E
(88%)
+
29V_A_3
QMean=0.579
P1
:
(17 Cplx.)
BDB
pKi= -7.4
34
10.5
0.8
50290192
4PP3
(88%)
+
2VZ_A_3
QMean=0.603
P1
:
(15 Cplx.)
BDB
pKi= -8.0
35
10.2
0.8
50141605
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P1
:
(19 Cplx.)
BDB
pKi= -5.0
36
10.7
0.9
50290187
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P1
:
(18 Cplx.)
BDB
pKi= -8.2
37
11.0
0.9
50290186
4M8E
(88%)
+
29V_A_3
QMean=0.579
P1
:
(19 Cplx.)
BDB
pKi= -8.0
38
9.8
0.9
50122352
1MVC
(86%)
+
BM6_E_5
QMean=0.627
P1
:
(19 Cplx.)
BDB
pKd= -7.7
39
8.9
0.9
50290193
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P2
:
(8 Cplx.)
BDB
pKi= -7.6
40
10.0
1.0
50141590
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P1
:
(13 Cplx.)
BDB
pKi= -5.2
41
9.3
1.0
50040011
1H9U
(98%)
+
LG2_C_11
QMean=0.568
P1
:
(20 Cplx.)
BDB
pKd= -6.8
42
10.1
1.0
50290190
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P1
:
(17 Cplx.)
BDB
pKi= -6.6
43
10.6
1.0
50122350
4K4J
(88%)
+
1O8_A_3
QMean=0.605
P1
:
(15 Cplx.)
BDB
pKd= -8.2
44
9.8
1.1
50141593
4K4J
(88%)
+
1O8_A_3
QMean=0.605
P1
:
(20 Cplx.)
BDB
pKi= -5.2
45
9.4
1.1
50040020
4POH
(88%)
+
2VR_A_3
QMean=0.591
P1
:
(20 Cplx.)
BDB
pKd= -6.6
46
9.7
1.1
50141594
4PP3
(88%)
+
2VZ_A_3
QMean=0.603
P1
:
(18 Cplx.)
BDB
pKi= -5.6
47
9.0
1.1
50040015
4POH
(88%)
+
2VR_A_3
QMean=0.591
P1
:
(20 Cplx.)
BDB
pKd= -6.7
48
9.5
1.2
50040017
4POH
(88%)
+
2VR_A_3
QMean=0.591
P1
:
(20 Cplx.)
BDB
pKd= -7.4
49
9.1
1.2
50040021
4POH
(88%)
+
2VR_A_3
QMean=0.591
P1
:
(18 Cplx.)
BDB
pKd= -7.1
50
9.5
1.3
50040010
4POH
(88%)
+
2VR_A_3
QMean=0.591
P1
:
(20 Cplx.)
BDB
pKd= -6.6
51
9.5
1.6
50122349
1H9U
(98%)
+
LG2_C_11
QMean=0.568
P1
:
(20 Cplx.)
BDB
pKd= -7.8
52
6.2
1.7
31891
4RFW
(88%)
+
3RB_A_3
QMean=0.619
P3
:
(5 Cplx.)
BDB
pKd= -6.2
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.29
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