Screening Results : Docking based on all models from entry : PF00105_VDR_HUMAN
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Study :
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
36717
36722
50102248
50102251
50200182
50329704
50329705
50329706
50329707
50369964
50441908
50441909
50441910
50441911
50441912
50441913
50441914
50441915
50441916
50441917
50441918
50441919
50441920
93061
93062
93063
93064
93065
93066
93067
93068
93069
93070
93071
93072
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
10.6
0.6
50329704
3AZ1
(83%)
+
DS2_A_2
QMean=0.747
P1
:
(10 Cplx.)
BDB
pKi= -6.5
2
10.0
0.9
93061
1IE8
(83%)
+
KH1_B_2
QMean=0.738
P1
:
(20 Cplx.)
BDB
pKi= -9.7
3
10.5
1.0
50329707
3AZ3
(83%)
+
DS6_A_2
QMean=0.753
P1
:
(12 Cplx.)
BDB
pKi= -8.0
4
9.9
1.1
50329705
3W0C
(83%)
+
6DS_A_2
QMean=0.751
P2
:
(7 Cplx.)
BDB
pKi= -6.1
5
10.1
1.1
50329706
3AX8
(83%)
+
EIM_A_2
QMean=0.739
P2
:
(7 Cplx.)
BDB
pKi= -7.9
6
8.9
1.2
93072
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(20 Cplx.)
BDB
pKi= -9.5
7
8.5
1.2
93064
3CS6
(83%)
+
0CO_A_2
QMean=0.772
P1
:
(20 Cplx.)
BDB
pKi= -9.5
8
9.8
1.4
93063
2O4J
(75%)
+
VD4_A_3
QMean=0.731
P1
:
(20 Cplx.)
BDB
pKi= -9.5
9
10.8
1.4
36722
2HAR
(83%)
+
OCC_B_2
QMean=0.734
P2
:
(9 Cplx.)
BDB
pKi= -6.8
10
8.0
1.6
50102248
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(10 Cplx.)
BDB
pKd= -10.1
11
8.0
1.7
50102251
3A3Z
(83%)
+
2MV_X_2
QMean=0.780
P1
:
(11 Cplx.)
BDB
pKd= -10.1
12
8.5
1.8
93065
3AX8
(83%)
+
EIM_A_2
QMean=0.739
P1
:
(19 Cplx.)
BDB
pKi= -9.0
13
8.1
2.0
93062
1RJK
(75%)
+
VDZ_A_3
QMean=0.716
P1
:
(13 Cplx.)
BDB
pKi= -10.0
14
7.9
2.0
93068
3AX8
(83%)
+
EIM_A_2
QMean=0.739
P1
:
(18 Cplx.)
BDB
pKi= -7.3
15
6.3
2.2
50441913
3CS6
(83%)
+
0CO_A_2
QMean=0.772
P1
:
(7 Cplx.)
BDB
pKi= -5.4
16
7.5
2.2
50200182
1RJK
(75%)
+
VDZ_A_3
QMean=0.716
P2
:
(6 Cplx.)
BDB
pKd= -10.2
17
6.4
2.2
50441917
3CS6
(83%)
+
0CO_A_2
QMean=0.772
P1
:
(8 Cplx.)
BDB
pKi= -4.7
18
6.6
2.2
50441908
3CS6
(83%)
+
0CO_A_2
QMean=0.772
P1
:
(8 Cplx.)
BDB
pKi= -6.0
19
7.5
2.2
50369964
2HAS
(83%)
+
C3O_B_2
QMean=0.727
P1
:
(10 Cplx.)
BDB
pKd= -9.5
20
6.4
2.2
50441916
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(8 Cplx.)
BDB
pKi= -5.0
21
6.6
2.2
50441914
3A40
(83%)
+
23R_X_2
QMean=0.761
P2
:
(6 Cplx.)
BDB
pKi= -5.0
22
6.6
2.2
50441912
3A40
(83%)
+
23R_X_2
QMean=0.761
P2
:
(6 Cplx.)
BDB
pKi= -5.5
23
6.4
2.2
50441919
3A40
(83%)
+
23R_X_2
QMean=0.761
P2
:
(6 Cplx.)
BDB
pKi= -5.0
24
6.6
2.2
50441918
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(7 Cplx.)
BDB
pKi= -5.2
25
6.6
2.2
50441915
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(6 Cplx.)
BDB
pKi= -5.1
26
6.3
2.2
50441920
3A40
(83%)
+
23R_X_2
QMean=0.761
P1
:
(8 Cplx.)
BDB
pKi= -4.6
27
6.6
2.2
50441911
3A40
(83%)
+
23R_X_2
QMean=0.761
P2
:
(7 Cplx.)
BDB
pKi= -5.7
28
8.1
2.3
93067
2O4J
(75%)
+
VD4_A_3
QMean=0.731
P2
:
(4 Cplx.)
BDB
pKi= -9.7
29
7.2
2.4
93070
2HAM
(83%)
+
C33_B_2
QMean=0.721
P1
:
(17 Cplx.)
BDB
pKi= -5.4
30
8.0
2.4
93066
2O4J
(75%)
+
VD4_A_3
QMean=0.731
P1
:
(20 Cplx.)
BDB
pKi= -8.7
31
6.8
2.4
50441909
4G2I
(83%)
+
0VQ_A_2
QMean=0.756
P1
:
(8 Cplx.)
BDB
pKi= -5.8
32
7.5
2.4
50441910
4G2I
(83%)
+
0VQ_A_2
QMean=0.756
P1
:
(10 Cplx.)
BDB
pKi= -5.7
33
7.5
2.4
93069
3VRV
(75%)
+
YSD_A_3
QMean=0.760
P1
:
(11 Cplx.)
BDB
pKi= -7.3
34
8.1
2.4
36717
2HB8
(83%)
+
MVD_B_2
QMean=0.734
P1
:
(13 Cplx.)
BDB
pKi= -9.3
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.51
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