Screening Results : Docking based on all models from entry : PF00017_BMX_HUMAN
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Study :
All_Studies
BDB
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
13216
13534
26145
31085
31089
31090
31092
31093
31096
31097
36409
4552
4779
50059889
50242742
50249542
50306682
50326054
50332294
50355496
50355499
50355504
50423773
6568
6866
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.8
2.4
31092
1U59
(35%)
+
STU_A_2
QMean=0.192
P2
:
(5 Cplx.)
BDB
pKd= -2.3
2
6.9
1.9
31096
4HCT
(58%)
+
18R_A_2
QMean=0.213
P1
:
(10 Cplx.)
BDB
pKd= -3.8
3
9.5
2.0
50306682
1OPK
(36%)
+
P16_A_3
QMean=0.275
P1
:
(4 Cplx.)
BDB
pKd= -5.4
4
6.6
2.0
31093
3PIY
(65%)
+
585_A_2
QMean=0.182
P1
:
(5 Cplx.)
BDB
pKd= -5.5
5
7.7
1.2
4779
2H8H
(37%)
+
H8H_A_2
QMean=0.254
P1
:
(4 Cplx.)
BDB
pKd= -5.6
6
5.7
1.9
50355496
3PJ3
(65%)
+
04L_A_2
QMean=0.180
P2
:
(4 Cplx.)
BDB
pKd= -5.7
7
10.4
1.8
50326054
1OPK
(36%)
+
P16_A_3
QMean=0.275
P3
:
(4 Cplx.)
BDB
pKd= -5.8
8
8.3
0.6
31089
3OCT
(65%)
+
1N1_A_2
QMean=0.185
P2
:
(4 Cplx.)
BDB
pKd= -5.9
9
7.0
1.4
36409
2H8H
(37%)
+
H8H_A_2
QMean=0.254
P1
:
(8 Cplx.)
BDB
pKd= -6.2
10
7.4
0.7
50249542
3PIY
(65%)
+
585_A_2
QMean=0.182
P1
:
(4 Cplx.)
BDB
pKd= -6.7
11
7.8
2.5
4552
3OCT
(65%)
+
1N1_A_2
QMean=0.185
P1
:
(3 Cplx.)
BDB
pKd= -6.7
12
8.2
0.9
50423773
1U59
(35%)
+
STU_A_2
QMean=0.192
P1
:
(3 Cplx.)
BDB
pKd= -6.7
13
8.2
0.7
50059889
1U59
(35%)
+
STU_A_2
QMean=0.192
P2
:
(4 Cplx.)
BDB
pKd= -6.8
14
6.2
1.8
26145
3PIY
(65%)
+
585_A_2
QMean=0.182
P1
:
(6 Cplx.)
BDB
pKd= -7.4
15
10.3
0.4
6568
1OPK
(36%)
+
P16_A_3
QMean=0.275
P1
:
(9 Cplx.)
BDB
pKd= -7.5
16
8.6
0.6
13216
3OCT
(65%)
+
1N1_A_2
QMean=0.185
P2
:
(4 Cplx.)
BDB
pKd= -8.9
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.30
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