Screening Results : Docking based on all models from entry : FES_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
103904189
103904193
103904195
103904196
103904202
103904211
103904215
103904216
103904276
103904277
103904284
103904287
103904288
103904289
103904294
103904315
103904317
103904322
103904326
103904333
103904334
103904335
103904336
103904340
103904341
103904352
103904354
103904355
103904411
103904417
103904479
103904480
103904502
103904504
103904509
103904511
103904567
103904592
103904593
103904594
103904601
103904604
103904610
103904638
103904649
103904650
103904717
103904739
103904784
103904786
103904787
103904788
103904793
103904856
103904904
103904906
103904912
103904940
103904987
103905006
103905247
103905250
103905268
103905309
103905497
103905525
103905543
103905603
103905608
103905649
103905670
103905675
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
7.6
2.1
103904650
3KFA
(43%)
+
B91_B_4
QMean=0.485
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
2
5.1
1.9
103905675
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(6 Cplx.)
RUN1
pKi= 7.1
3
7.4
1.5
103904739
3KFA
(43%)
+
B91_B_4
QMean=0.485
P1
:
(5 Cplx.)
RUN1
pKi= 7.9
4
6.8
1.9
103904276
3KF4
(43%)
+
B90_B_4
QMean=0.498
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
5
6.1
2.2
103904202
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
6
7.4
1.5
103905497
2XYN
(44%)
+
VX6_A_5
QMean=0.477
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
7
7.2
1.7
103904650
3MS9
(43%)
+
STI_B_9
QMean=0.482
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
8
6.7
1.6
103904216
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
9
6.3
1.7
103904604
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN2
pKi= 8.1
10
6.4
2.1
103904352
3MS9
(43%)
+
STI_B_9
QMean=0.482
P1
:
(5 Cplx.)
RUN0
pKi= 6.3
11
6.3
1.0
103904215
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(11 Cplx.)
RUN1
pKi= 6.2
12
6.3
0.9
103904502
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(7 Cplx.)
RUN2
pKi= 6.2
13
5.3
1.7
103904610
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
14
9.3
2.0
103904289
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
15
8.0
1.5
103904341
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(3 Cplx.)
RUN2
pKi= 6.7
16
7.4
2.4
103904906
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
17
7.6
2.0
103904317
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
18
7.1
1.2
103904196
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
19
4.5
1.8
103905006
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN2
pKi= 6
20
9.0
1.4
103904784
2XYN
(44%)
+
VX6_A_5
QMean=0.477
P1
:
(3 Cplx.)
RUN2
pKi= 6
21
7.4
0.7
103904195
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
22
8.2
1.4
103904787
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
23
6.2
2.1
103905670
3OY3
(43%)
+
XY3_B_4
QMean=0.487
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
24
6.0
2.4
103904940
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
25
7.5
2.3
103904294
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
26
7.7
1.3
103904479
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
27
7.1
1.8
103904336
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
28
5.0
1.6
103904211
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
29
7.7
1.9
103905268
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
30
7.2
2.2
103905603
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
31
7.3
1.6
103904511
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
32
6.8
2.4
103904193
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
33
4.9
2.5
103904987
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
34
8.9
2.1
103904289
3QRI
(43%)
+
919_A_5
QMean=0.497
P1
:
(8 Cplx.)
RUN1
pKi= 5.8
35
8.3
2.1
103905268
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
36
7.8
1.7
103904317
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
37
7.9
2.1
103904354
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(3 Cplx.)
RUN0
pKi= 6.8
38
6.7
1.5
103904567
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(3 Cplx.)
RUN2
pKi= 6.6
39
6.9
1.7
103904315
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
40
6.2
1.1
103904502
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
41
5.8
2.2
103904601
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
42
7.6
1.5
103904511
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
43
6.3
0.9
103904215
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(15 Cplx.)
RUN2
pKi= 6.2
44
7.1
1.9
103904294
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
45
7.1
1.9
103904355
1FPU
(43%)
+
PRC_D_4
QMean=0.505
P1
:
(4 Cplx.)
RUN2
pKi= 6
46
7.7
1.8
103905268
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
47
6.9
2.2
103905603
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
48
5.5
2.5
103904987
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
49
6.4
1.4
103905670
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
50
7.1
2.0
103904341
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(3 Cplx.)
RUN0
pKi= 6.7
51
8.2
1.0
103904592
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
52
7.9
2.3
103904195
1FPU
(43%)
+
PRC_D_4
QMean=0.505
P1
:
(10 Cplx.)
RUN0
pKi= 6.3
53
8.2
1.2
103904340
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(5 Cplx.)
RUN0
pKi= 6
54
8.0
1.2
103904315
2HZN
(43%)
+
KIN_A_2
QMean=0.385
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
55
8.7
2.3
103904417
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(3 Cplx.)
RUN0
pKi= 6.3
56
8.0
1.3
103904322
2HZN
(43%)
+
KIN_A_2
QMean=0.385
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
57
9.7
2.2
103904784
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(3 Cplx.)
RUN0
pKi= 6
58
6.4
1.9
103905608
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(4 Cplx.)
RUN1
pKi= 7.7
59
8.8
1.5
103904288
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
60
6.9
2.5
103904649
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
61
6.1
2.3
103904352
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
62
6.7
1.6
103904638
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
63
7.7
1.9
103904287
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(7 Cplx.)
RUN1
pKi= 6
64
7.2
1.2
103904196
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
65
5.8
2.1
103904504
3DK3
(43%)
+
SX7_B_5
QMean=0.503
P1
:
(6 Cplx.)
RUN0
pKi= 5.7
66
5.6
1.2
103904649
3QRI
(43%)
+
919_A_5
QMean=0.497
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
67
7.5
0.7
103904195
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
68
7.9
1.7
103905247
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(6 Cplx.)
RUN0
pKi= 7.3
69
7.6
2.0
103905247
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
70
7.5
2.4
103904904
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
71
6.2
1.8
103904912
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
72
9.4
1.1
103904288
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(7 Cplx.)
RUN2
pKi= 6.2
73
7.9
1.6
103904287
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P1
:
(4 Cplx.)
RUN2
pKi= 6
74
7.2
2.2
103904294
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
75
7.6
1.5
103905247
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
76
7.4
1.8
103904340
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(4 Cplx.)
RUN1
pKi= 6
77
7.8
2.0
103905649
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P1
:
(6 Cplx.)
RUN2
pKi= 6.4
78
7.4
1.7
103905250
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(4 Cplx.)
RUN1
pKi= 7.5
79
8.2
1.8
103904480
3QRI
(43%)
+
919_A_5
QMean=0.497
P1
:
(4 Cplx.)
RUN1
pKi= 5.7
80
6.6
2.2
103904650
3KFA
(43%)
+
B91_B_4
QMean=0.485
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
81
8.3
1.2
103904326
2HZN
(43%)
+
KIN_A_2
QMean=0.385
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
82
5.7
1.7
103904610
2XYN
(44%)
+
VX6_A_5
QMean=0.477
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
83
8.3
2.2
103904480
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
84
7.4
2.4
103904567
3MS9
(43%)
+
STI_B_9
QMean=0.482
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
85
9.3
1.8
103904480
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(3 Cplx.)
RUN0
pKi= 5.7
86
9.6
1.2
103904288
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(7 Cplx.)
RUN0
pKi= 6.2
87
6.6
2.5
103904193
4HCT
(44%)
+
18R_A_2
QMean=0.491
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
88
6.6
2.0
103904189
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN2
pKi= 6.1
89
7.6
1.4
103904856
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
90
9.5
1.1
103904788
2C0T
(36%)
+
L3G_B_6
QMean=0.481
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
91
7.8
2.3
103904717
3DK3
(43%)
+
SX7_B_5
QMean=0.503
P1
:
(4 Cplx.)
RUN1
pKi= 6
92
6.4
1.8
103905525
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(3 Cplx.)
RUN1
pKi= 6.8
93
8.9
1.8
103904479
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(3 Cplx.)
RUN0
pKi= 5.8
94
6.1
1.8
103904593
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(5 Cplx.)
RUN1
pKi= 8
95
9.3
1.9
103904354
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
96
6.3
2.1
103904202
1M52
(43%)
+
P17_A_5
QMean=0.505
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
97
7.5
2.1
103904856
3VS5
(36%)
+
VSG_A_3
QMean=0.507
P1
:
(4 Cplx.)
RUN1
pKi= 6.5
98
5.6
2.5
103905675
3MS9
(43%)
+
STI_B_9
QMean=0.482
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
99
6.7
1.2
103904211
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
100
5.9
2.2
103904211
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
101
9.9
1.2
103904289
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P1
:
(7 Cplx.)
RUN0
pKi= 5.8
102
8.1
2.5
103904717
3CS9
(43%)
+
NIL_D_8
QMean=0.534
P1
:
(4 Cplx.)
RUN2
pKi= 6
103
7.9
1.7
103904592
1FPU
(43%)
+
PRC_D_4
QMean=0.505
P1
:
(3 Cplx.)
RUN0
pKi= 7.4
104
5.8
1.7
103904594
1OPL
(38%)
+
P16_B_5
QMean=0.513
P1
:
(4 Cplx.)
RUN1
pKi= 8
105
6.3
0.9
103904215
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P1
:
(13 Cplx.)
RUN0
pKi= 6.2
106
7.3
1.6
103904334
3QRI
(43%)
+
919_A_5
QMean=0.497
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
107
5.3
2.3
103904509
3VS2
(36%)
+
VSB_A_3
QMean=0.463
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
108
7.8
1.8
103905250
4I4E
(39%)
+
1BQ_A_2
QMean=0.500
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
109
6.3
1.8
103904502
1M52
(43%)
+
P17_A_5
QMean=0.505
P2
:
(4 Cplx.)
RUN0
pKi= 6.2
110
6.3
1.2
103904786
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
111
6.4
1.5
103904276
2C0T
(36%)
+
L3G_B_6
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
112
6.0
2.4
103904940
3DK3
(43%)
+
SX7_B_5
QMean=0.503
P2
:
(4 Cplx.)
RUN0
pKi= 6.4
113
8.4
1.9
103904322
2HIW
(43%)
+
7MP_D_4
QMean=0.496
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
114
7.2
1.3
103904334
2C0T
(36%)
+
L3G_B_6
QMean=0.481
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
115
7.6
1.4
103905649
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P2
:
(5 Cplx.)
RUN1
pKi= 6.4
116
5.7
1.9
103904912
1OPL
(38%)
+
P16_B_5
QMean=0.513
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
117
8.3
1.3
103904787
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
118
5.7
1.6
103904940
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P2
:
(5 Cplx.)
RUN1
pKi= 6.4
119
7.7
1.9
103904333
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P2
:
(4 Cplx.)
RUN0
pKi= 5.9
120
5.9
1.0
103904786
3DK3
(43%)
+
SX7_B_5
QMean=0.503
P2
:
(4 Cplx.)
RUN0
pKi= 6.4
121
5.5
1.5
103904352
2HZN
(43%)
+
KIN_A_2
QMean=0.385
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
122
6.5
2.1
103904317
2Z60
(43%)
+
P3Y_A_2
QMean=0.528
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
123
5.1
1.8
103904504
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(6 Cplx.)
RUN2
pKi= 5.7
124
6.3
1.8
103904594
1OPL
(38%)
+
P16_B_5
QMean=0.513
P2
:
(3 Cplx.)
RUN2
pKi= 8
125
8.2
1.4
103904788
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(3 Cplx.)
RUN1
pKi= 6.5
126
6.2
2.3
103904336
1M52
(43%)
+
P17_A_5
QMean=0.505
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
127
7.9
1.2
103905543
2HZI
(43%)
+
JIN_B_4
QMean=0.527
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
128
7.9
1.2
103904326
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(3 Cplx.)
RUN2
pKi= 7.3
129
6.5
2.0
103904604
1OPL
(38%)
+
P16_B_5
QMean=0.513
P2
:
(3 Cplx.)
RUN0
pKi= 8.1
130
6.5
1.6
103904509
1OPL
(38%)
+
P16_B_5
QMean=0.513
P2
:
(4 Cplx.)
RUN1
pKi= 6.2
131
5.0
1.8
103904504
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(6 Cplx.)
RUN1
pKi= 5.7
132
5.8
2.1
103904336
1M52
(43%)
+
P17_A_5
QMean=0.505
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
133
8.0
2.0
103904287
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(3 Cplx.)
RUN0
pKi= 6
134
6.5
2.5
103904594
2XYN
(44%)
+
VX6_A_5
QMean=0.477
P2
:
(4 Cplx.)
RUN0
pKi= 8
135
6.0
1.5
103904604
1OPL
(38%)
+
P16_B_5
QMean=0.513
P2
:
(3 Cplx.)
RUN1
pKi= 8.1
136
8.4
1.8
103904341
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
137
7.4
1.5
103904333
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
138
7.8
1.6
103905497
2XYN
(44%)
+
VX6_A_5
QMean=0.477
P3
:
(3 Cplx.)
RUN0
pKi= 5.8
139
4.8
2.5
103905309
1OPL
(38%)
+
P16_B_5
QMean=0.513
P3
:
(4 Cplx.)
RUN2
pKi= 6
140
7.5
2.3
103904334
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
141
7.3
1.9
103904906
3DK3
(43%)
+
SX7_B_5
QMean=0.503
P3
:
(3 Cplx.)
RUN0
pKi= 6.6
142
5.9
1.5
103904904
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
143
6.4
2.0
103904284
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P3
:
(3 Cplx.)
RUN2
pKi= 5.7
144
5.8
1.5
103904906
3VS6
(36%)
+
VSH_B_10
QMean=0.461
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
145
7.7
2.1
103904335
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P3
:
(3 Cplx.)
RUN0
pKi= 6
146
7.5
1.6
103904333
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
147
6.7
1.3
103904340
2C0T
(36%)
+
L3G_B_6
QMean=0.481
P3
:
(3 Cplx.)
RUN2
pKi= 6
148
6.0
1.5
103904786
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P3
:
(3 Cplx.)
RUN1
pKi= 6.4
149
7.9
1.5
103904354
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P3
:
(3 Cplx.)
RUN1
pKi= 6.8
150
7.4
1.8
103904335
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P4
:
(3 Cplx.)
RUN2
pKi= 6
151
7.3
1.7
103904276
3VS0
(36%)
+
VS0_A_5
QMean=0.492
P4
:
(3 Cplx.)
RUN1
pKi= 5.8
152
7.9
1.7
103904335
3IK3
(43%)
+
0LI_A_3
QMean=0.490
P4
:
(3 Cplx.)
RUN1
pKi= 6
153
4.4
1.4
103905006
1OPL
(38%)
+
P16_B_5
QMean=0.513
P4
:
(3 Cplx.)
RUN1
pKi= 6
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.11
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