Screening Results : Docking based on all models from entry : ERBB2_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
103904216
103904272
103904309
103904310
103904314
103904328
103904402
103904411
103904417
103904418
103904419
103904420
103904449
103904550
103904591
103904592
103904593
103904594
103904596
103904598
103904600
103904601
103904602
103904603
103904652
103904673
103904711
103904754
103904783
103904787
103904788
103904796
103904819
103904912
103904913
103904946
103904962
103904991
103905056
103905061
103905062
103905063
103905064
103905067
103905094
103905123
103905140
103905172
103905250
103905265
103905316
103905339
103905340
103905343
103905344
103905352
103905429
103905531
103905532
103905543
103905562
103905566
103905567
103905568
103905632
103905649
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
7.6
0.4
103904652
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(10 Cplx.)
RUN1
pKi= 6.5
2
7.7
0.5
103904652
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
3
5.6
0.6
103905123
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(11 Cplx.)
RUN1
pKi= 5.3
4
5.2
0.6
103905123
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(11 Cplx.)
RUN2
pKi= 5.3
5
6.2
0.8
103905339
4HJO
(78%)
+
AQ4_A_2
QMean=0.539
P2
:
(4 Cplx.)
RUN1
pKi= 7.7
6
10.8
0.8
103905568
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(5 Cplx.)
RUN2
pKi= 8.8
7
6.9
0.9
103905339
4HJO
(78%)
+
AQ4_A_2
QMean=0.539
P1
:
(8 Cplx.)
RUN2
pKi= 7.7
8
7.8
0.9
103904652
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(8 Cplx.)
RUN0
pKi= 6.5
9
11.1
0.9
103905568
1XKK
(78%)
+
FMM_A_4
QMean=0.506
P1
:
(4 Cplx.)
RUN1
pKi= 8.8
10
5.7
0.9
103904594
4I22
(77%)
+
IRE_A_2
QMean=0.519
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
11
8.2
0.9
103905649
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(9 Cplx.)
RUN2
pKi= 6.5
12
6.8
0.9
103904550
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(7 Cplx.)
RUN1
pKi= 6.6
13
7.5
1.0
103905344
1XKK
(78%)
+
FMM_A_4
QMean=0.506
P1
:
(8 Cplx.)
RUN2
pKi= 7.6
14
9.8
1.0
103905566
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(12 Cplx.)
RUN1
pKi= 8.8
15
10.2
1.0
103905566
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(9 Cplx.)
RUN2
pKi= 8.8
16
10.7
1.0
103905567
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P2
:
(3 Cplx.)
RUN1
pKi= 8.8
17
7.1
1.0
103905344
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(7 Cplx.)
RUN1
pKi= 7.6
18
11.5
1.1
103905568
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(8 Cplx.)
RUN0
pKi= 8.8
19
6.9
1.1
103905343
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(8 Cplx.)
RUN1
pKi= 7.6
20
8.0
1.1
103904796
3W33
(77%)
+
W19_A_2
QMean=0.524
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
21
8.3
1.1
103904603
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
22
7.4
1.1
103904796
1XKK
(78%)
+
FMM_A_4
QMean=0.506
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
23
7.6
1.2
103905140
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(12 Cplx.)
RUN2
pKi= 6.4
24
9.8
1.2
103904991
3W33
(77%)
+
W19_A_2
QMean=0.524
P1
:
(4 Cplx.)
RUN2
pKi= 7.9
25
8.2
1.2
103905649
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
26
11.6
1.2
103905567
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(6 Cplx.)
RUN2
pKi= 8.8
27
7.6
1.3
103905343
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(8 Cplx.)
RUN2
pKi= 7.6
28
6.8
1.3
103904591
3BEL
(78%)
+
POX_A_4
QMean=0.494
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
29
7.8
1.4
103905340
3BEL
(78%)
+
POX_A_4
QMean=0.494
P2
:
(5 Cplx.)
RUN1
pKi= 6.4
30
7.7
1.4
103904596
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
31
11.4
1.4
103905567
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(3 Cplx.)
RUN0
pKi= 8.8
32
7.9
1.4
103904592
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(8 Cplx.)
RUN1
pKi= 6.7
33
6.0
1.4
103904596
4I24
(77%)
+
1C9_B_4
QMean=0.510
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
34
10.1
1.5
103904991
3W33
(77%)
+
W19_A_2
QMean=0.524
P1
:
(7 Cplx.)
RUN0
pKi= 7.9
35
7.6
1.5
103905140
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(8 Cplx.)
RUN0
pKi= 6.4
36
7.3
1.5
103905532
2ITQ
(77%)
+
STU_A_2
QMean=0.469
P2
:
(5 Cplx.)
RUN0
pKi= 6.6
37
7.9
1.5
103905562
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
38
7.9
1.5
103904592
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(7 Cplx.)
RUN2
pKi= 6.7
39
8.4
1.5
103904991
3W2S
(77%)
+
W2R_A_2
QMean=0.530
P1
:
(10 Cplx.)
RUN1
pKi= 7.9
40
7.1
1.6
103904600
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P2
:
(4 Cplx.)
RUN2
pKi= 7.5
41
6.3
1.6
103904600
3W2S
(77%)
+
W2R_A_2
QMean=0.530
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
42
10.6
1.6
103904418
3LZB
(80%)
+
ITI_D_12
QMean=0.529
P1
:
(3 Cplx.)
RUN1
pKi= 8
43
6.9
1.6
103904216
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(4 Cplx.)
RUN1
pKi= 6
44
7.9
1.6
103905250
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
45
6.6
1.6
103905543
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(4 Cplx.)
RUN2
pKi= 6.8
46
7.0
1.6
103905339
4I24
(77%)
+
1C9_B_4
QMean=0.510
P2
:
(3 Cplx.)
RUN0
pKi= 7.7
47
6.3
1.6
103904593
3H3C
(39%)
+
P1E_A_7
QMean=0.489
P4
:
(3 Cplx.)
RUN2
pKi= 6.1
48
8.4
1.7
103905562
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
49
5.8
1.7
103905340
4HJO
(78%)
+
AQ4_A_2
QMean=0.539
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
50
5.9
1.7
103904593
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(11 Cplx.)
RUN1
pKi= 6.1
51
8.1
1.7
103905649
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P2
:
(4 Cplx.)
RUN0
pKi= 6.5
52
6.8
1.7
103905094
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(8 Cplx.)
RUN1
pKi= 6
53
8.2
1.8
103905562
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
54
7.2
1.8
103905094
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(8 Cplx.)
RUN2
pKi= 6
55
9.0
1.8
103904417
2RGP
(78%)
+
HYZ_A_4
QMean=0.514
P2
:
(3 Cplx.)
RUN1
pKi= 7.1
56
8.3
1.8
103905062
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
57
7.9
1.8
103904591
3IKA
(77%)
+
0UN_A_3
QMean=0.532
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
58
7.3
1.8
103904819
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(15 Cplx.)
RUN1
pKi= 6.4
59
7.6
1.8
103905140
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(10 Cplx.)
RUN1
pKi= 6.4
60
6.7
1.8
103904601
3FZR
(39%)
+
3JZ_A_2
QMean=0.478
P2
:
(3 Cplx.)
RUN2
pKi= 7.2
61
6.8
1.8
103904783
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
62
6.7
1.8
103904783
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(15 Cplx.)
RUN1
pKi= 6.2
63
6.9
1.8
103904783
4I22
(77%)
+
IRE_A_2
QMean=0.519
P1
:
(16 Cplx.)
RUN0
pKi= 6.2
64
8.1
1.8
103904591
3IKA
(77%)
+
0UN_A_3
QMean=0.532
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
65
6.4
1.8
103904402
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
66
5.2
1.8
103905123
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P2
:
(3 Cplx.)
RUN0
pKi= 5.3
67
7.2
1.9
103905343
1XKK
(78%)
+
FMM_A_4
QMean=0.506
P1
:
(3 Cplx.)
RUN0
pKi= 7.6
68
7.1
1.9
103904819
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(9 Cplx.)
RUN2
pKi= 6.4
69
7.8
1.9
103904962
2RGP
(78%)
+
HYZ_A_4
QMean=0.514
P1
:
(5 Cplx.)
RUN2
pKi= 6
70
6.8
1.9
103904601
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
71
8.9
2.0
103904598
3IKA
(77%)
+
0UN_A_3
QMean=0.532
P1
:
(3 Cplx.)
RUN2
pKi= 7.4
72
6.2
2.0
103904912
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P2
:
(5 Cplx.)
RUN2
pKi= 7.5
73
7.7
2.0
103904946
3POZ
(77%)
+
03P_A_5
QMean=0.500
P3
:
(3 Cplx.)
RUN1
pKi= 6
74
9.0
2.0
103905429
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(5 Cplx.)
RUN2
pKi= 6
75
6.6
2.0
103904550
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
76
8.2
2.0
103905250
3H3C
(39%)
+
P1E_A_7
QMean=0.489
P1
:
(5 Cplx.)
RUN1
pKi= 5.8
77
6.1
2.0
103904912
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(7 Cplx.)
RUN1
pKi= 7.5
78
6.7
2.0
103905061
3FZR
(39%)
+
3JZ_A_2
QMean=0.478
P2
:
(3 Cplx.)
RUN1
pKi= 6.2
79
6.8
2.1
103904946
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P3
:
(3 Cplx.)
RUN2
pKi= 6
80
9.1
2.1
103905316
3BEL
(78%)
+
POX_A_4
QMean=0.494
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
81
7.8
2.1
103904328
4HJO
(78%)
+
AQ4_A_2
QMean=0.539
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
82
5.4
2.1
103904310
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
83
7.2
2.1
103904819
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(10 Cplx.)
RUN0
pKi= 6.4
84
8.7
2.1
103904417
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
85
7.3
2.1
103905056
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
86
6.4
2.1
103904673
1XKK
(78%)
+
FMM_A_4
QMean=0.506
P1
:
(11 Cplx.)
RUN1
pKi= 6.5
87
7.2
2.1
103904309
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
88
6.1
2.1
103904449
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(5 Cplx.)
RUN1
pKi= 6
89
6.0
2.1
103905352
4I24
(77%)
+
1C9_B_4
QMean=0.510
P2
:
(3 Cplx.)
RUN1
pKi= 6.2
90
7.5
2.1
103905531
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P1
:
(6 Cplx.)
RUN2
pKi= 7.5
91
8.8
2.1
103905316
2RGP
(78%)
+
HYZ_A_4
QMean=0.514
P1
:
(3 Cplx.)
RUN0
pKi= 7.3
92
7.8
2.2
103904754
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(4 Cplx.)
RUN1
pKi= 6
93
9.6
2.2
103904754
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(4 Cplx.)
RUN2
pKi= 6
94
7.8
2.2
103905067
4JQ7
(77%)
+
KJQ_A_2
QMean=0.498
P1
:
(3 Cplx.)
RUN2
pKi= 6
95
8.0
2.2
103905340
3W32
(77%)
+
W32_A_2
QMean=0.543
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
96
9.5
2.2
103904754
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(3 Cplx.)
RUN0
pKi= 6
97
6.0
2.2
103904449
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(7 Cplx.)
RUN2
pKi= 6
98
9.0
2.2
103905063
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(11 Cplx.)
RUN0
pKi= 6.3
99
8.2
2.2
103905172
3W32
(77%)
+
W32_A_2
QMean=0.543
P3
:
(3 Cplx.)
RUN2
pKi= 6.5
100
9.4
2.2
103905061
3POZ
(77%)
+
03P_A_5
QMean=0.500
P2
:
(5 Cplx.)
RUN0
pKi= 6.2
101
6.1
2.2
103904449
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(5 Cplx.)
RUN0
pKi= 6
102
7.4
2.2
103905531
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
103
7.5
2.2
103904314
3W33
(77%)
+
W19_A_2
QMean=0.524
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
104
7.4
2.2
103904328
3BEL
(78%)
+
POX_A_4
QMean=0.494
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
105
7.0
2.3
103904216
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(4 Cplx.)
RUN0
pKi= 6
106
6.3
2.3
103904673
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(12 Cplx.)
RUN2
pKi= 6.5
107
9.3
2.3
103904711
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
108
8.3
2.3
103905172
3W32
(77%)
+
W32_A_2
QMean=0.543
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
109
8.8
2.3
103905062
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(10 Cplx.)
RUN0
pKi= 6.4
110
8.1
2.3
103904962
3FZT
(39%)
+
4JZ_A_2
QMean=0.487
P1
:
(5 Cplx.)
RUN1
pKi= 6
111
7.5
2.3
103904402
2RGP
(78%)
+
HYZ_A_4
QMean=0.514
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
112
6.3
2.3
103904913
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(5 Cplx.)
RUN2
pKi= 7.4
113
7.7
2.3
103905056
4I24
(77%)
+
1C9_B_4
QMean=0.510
P3
:
(4 Cplx.)
RUN2
pKi= 6.1
114
6.3
2.3
103904594
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
115
7.9
2.3
103905429
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(4 Cplx.)
RUN1
pKi= 6
116
8.6
2.3
103905429
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(5 Cplx.)
RUN0
pKi= 6
117
8.8
2.3
103905063
3POZ
(77%)
+
03P_A_5
QMean=0.500
P1
:
(10 Cplx.)
RUN2
pKi= 6.3
118
8.6
2.3
103905064
2R4B
(78%)
+
GW7_A_3
QMean=0.548
P1
:
(8 Cplx.)
RUN1
pKi= 6
119
8.7
2.4
103904417
4JRV
(77%)
+
KJV_A_2
QMean=0.509
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
120
8.3
2.4
103905067
4G5J
(77%)
+
0WN_A_2
QMean=0.498
P1
:
(5 Cplx.)
RUN0
pKi= 6
121
7.7
2.4
103905056
4I24
(77%)
+
1C9_B_4
QMean=0.510
P2
:
(4 Cplx.)
RUN0
pKi= 6.1
122
8.4
2.4
103904402
3W33
(77%)
+
W19_A_2
QMean=0.524
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
123
6.9
2.4
103905062
3H3C
(39%)
+
P1E_A_7
QMean=0.489
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
124
7.7
2.4
103904796
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(6 Cplx.)
RUN0
pKi= 5.9
125
6.6
2.4
103905543
4JQ8
(77%)
+
KJ8_A_2
QMean=0.494
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
126
7.3
2.4
103904550
4G5J
(77%)
+
0WN_A_2
QMean=0.498
P1
:
(3 Cplx.)
RUN0
pKi= 6.6
127
5.4
2.4
103905265
4I22
(77%)
+
IRE_A_2
QMean=0.519
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
128
8.1
2.4
103904711
3PP0
(99%)
+
03Q_B_4
QMean=0.528
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
129
9.0
2.5
103905061
4I24
(77%)
+
1C9_B_4
QMean=0.510
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
130
7.8
2.5
103904418
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(3 Cplx.)
RUN2
pKi= 8
131
8.3
2.5
103905067
2J6M
(77%)
+
AEE_A_2
QMean=0.492
P1
:
(4 Cplx.)
RUN1
pKi= 6
132
8.5
2.5
103905172
3W33
(77%)
+
W19_A_2
QMean=0.524
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
133
7.9
2.5
103904328
4HJO
(78%)
+
AQ4_A_2
QMean=0.539
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
134
7.3
2.5
103905531
4JQ7
(77%)
+
KJQ_A_2
QMean=0.498
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
135
6.4
2.5
103904594
4FYO
(41%)
+
0VF_A_2
QMean=0.476
P3
:
(3 Cplx.)
RUN0
pKi= 5.8
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.50
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