Screening Results : Docking based on all models from entry : MATK_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
103904276
103904277
103904280
103904288
103904320
103904326
103904335
103904336
103904339
103904352
103904355
103904366
103904402
103904411
103904419
103904502
103904591
103904592
103904594
103904596
103904603
103904604
103904739
103904758
103904759
103904784
103904856
103904904
103904906
103904912
103904913
103904951
103904953
103905264
103905277
103905284
103905291
103905304
103905309
103905410
103905472
103905488
103905577
103905670
103905675
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
9.0
1.8
103904272
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(6 Cplx.)
RUN1
pKi= 7.4
2
9.2
1.9
103904272
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P2
:
(4 Cplx.)
RUN0
pKi= 7.4
3
8.4
1.1
103904272
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN2
pKi= 7.4
4
6.7
2.1
103904402
3VRY
(37%)
+
B43_A_3
QMean=0.554
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
5
6.0
1.8
103904402
3VS0
(37%)
+
VS0_A_5
QMean=0.534
P2
:
(4 Cplx.)
RUN1
pKi= 7.2
6
7.5
2.3
103904759
3VS4
(37%)
+
VSF_A_5
QMean=0.569
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
7
6.3
2.3
103904912
2Z60
(43%)
+
P3Y_A_2
QMean=0.565
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
8
7.6
2.0
103904759
3VRY
(37%)
+
B43_A_3
QMean=0.554
P1
:
(5 Cplx.)
RUN2
pKi= 7.1
9
7.7
2.0
103904759
3VS7
(37%)
+
KS1_B_6
QMean=0.560
P1
:
(5 Cplx.)
RUN1
pKi= 7.1
10
6.3
2.0
103904603
3VS0
(37%)
+
VS0_A_5
QMean=0.534
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
11
8.6
1.8
103904277
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN0
pKi= 6.8
12
8.7
1.5
103904277
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
13
6.8
2.5
103904596
3VS2
(37%)
+
VSB_A_3
QMean=0.550
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
14
8.0
1.7
103904277
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
15
6.5
2.2
103904953
3VS5
(37%)
+
VSG_A_3
QMean=0.587
P1
:
(4 Cplx.)
RUN2
pKi= 6.7
16
7.9
2.0
103904953
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(4 Cplx.)
RUN1
pKi= 6.7
17
9.7
2.2
103904320
3VS6
(37%)
+
VSH_A_6
QMean=0.591
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
18
9.0
1.5
103904320
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(3 Cplx.)
RUN1
pKi= 6.6
19
9.3
1.2
103904320
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
20
7.3
1.4
103904592
1M52
(43%)
+
P17_A_5
QMean=0.577
P1
:
(4 Cplx.)
RUN2
pKi= 6.5
21
9.0
2.5
103904326
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(5 Cplx.)
RUN0
pKi= 6.5
22
8.7
1.6
103904326
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
23
9.3
1.5
103904326
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
24
7.9
1.4
103904366
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN2
pKi= 6.4
25
6.0
1.7
103904913
3VS4
(37%)
+
VSF_A_5
QMean=0.569
P2
:
(4 Cplx.)
RUN1
pKi= 6.4
26
9.0
1.9
103904366
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P3
:
(3 Cplx.)
RUN0
pKi= 6.4
27
7.7
1.8
103904366
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
28
5.9
2.2
103904594
3TT0
(44%)
+
07J_A_3
QMean=0.566
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
29
5.1
2.0
103905675
1M52
(43%)
+
P17_A_5
QMean=0.577
P2
:
(4 Cplx.)
RUN1
pKi= 6.3
30
5.8
2.4
103904604
2G2H
(44%)
+
P16_B_4
QMean=0.574
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
31
6.2
1.9
103904604
1M52
(43%)
+
P17_A_5
QMean=0.577
P1
:
(6 Cplx.)
RUN2
pKi= 6.3
32
5.5
2.4
103905675
3MS9
(43%)
+
STI_B_9
QMean=0.600
P3
:
(3 Cplx.)
RUN2
pKi= 6.3
33
7.8
1.4
103904335
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
34
6.4
1.7
103904352
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P2
:
(4 Cplx.)
RUN2
pKi= 6.2
35
8.3
1.6
103904335
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
36
6.9
2.4
103904352
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
37
7.7
1.0
103904335
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(8 Cplx.)
RUN2
pKi= 6.2
38
6.8
2.3
103904739
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
39
7.5
1.0
103904276
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
40
7.7
1.7
103904758
3VS6
(37%)
+
VSH_A_6
QMean=0.591
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
41
6.9
1.4
103904276
3VS6
(37%)
+
VSH_A_6
QMean=0.591
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
42
7.7
1.9
103904758
3VS6
(37%)
+
VSH_A_6
QMean=0.591
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
43
7.2
2.0
103904758
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
44
8.1
1.7
103904276
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
45
8.2
1.5
103904856
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(6 Cplx.)
RUN1
pKi= 6
46
7.4
1.9
103905410
3VRY
(37%)
+
B43_A_3
QMean=0.554
P2
:
(3 Cplx.)
RUN1
pKi= 6
47
6.0
2.1
103905488
3VS4
(37%)
+
VSF_A_5
QMean=0.569
P2
:
(3 Cplx.)
RUN1
pKi= 6
48
7.3
2.2
103905264
3VS4
(37%)
+
VSF_A_5
QMean=0.569
P1
:
(7 Cplx.)
RUN2
pKi= 6
49
8.2
0.8
103904784
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(7 Cplx.)
RUN1
pKi= 6
50
6.6
2.2
103905410
3VS7
(37%)
+
KS1_B_6
QMean=0.560
P3
:
(3 Cplx.)
RUN2
pKi= 6
51
9.7
1.0
103904784
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(6 Cplx.)
RUN2
pKi= 6
52
9.0
1.3
103904856
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P2
:
(3 Cplx.)
RUN0
pKi= 6
53
8.3
1.2
103904856
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(5 Cplx.)
RUN2
pKi= 6
54
6.6
1.8
103904904
2Z60
(43%)
+
P3Y_A_2
QMean=0.565
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
55
6.6
1.8
103904906
2Z60
(43%)
+
P3Y_A_2
QMean=0.565
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
56
5.4
2.0
103904904
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P2
:
(5 Cplx.)
RUN1
pKi= 5.9
57
7.0
2.4
103904906
3VS5
(37%)
+
VSG_A_3
QMean=0.587
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
58
5.4
2.0
103904906
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
59
7.5
1.4
103904339
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
60
6.8
1.8
103905670
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
61
8.8
2.3
103904288
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
62
7.5
1.5
103905304
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P4
:
(3 Cplx.)
RUN1
pKi= 5.8
63
10.8
2.1
103904411
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
64
6.9
2.2
103905670
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
65
7.1
1.8
103904216
3VS6
(37%)
+
VSH_A_6
QMean=0.591
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
66
9.8
1.9
103904411
3VRY
(37%)
+
B43_A_3
QMean=0.554
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
67
7.2
1.4
103904355
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
68
8.6
1.9
103904280
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
69
8.6
1.2
103904280
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
70
8.5
1.5
103904288
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
71
7.1
1.9
103904355
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
72
8.4
1.5
103904280
3VS0
(37%)
+
VS0_A_5
QMean=0.534
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
73
6.9
1.8
103904216
3VRY
(37%)
+
B43_A_3
QMean=0.554
P1
:
(5 Cplx.)
RUN2
pKi= 5.8
74
6.8
1.9
103904355
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
75
7.1
1.6
103904288
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
76
7.8
1.9
103905472
3CS9
(44%)
+
NIL_A_5
QMean=0.565
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
77
7.7
2.4
103905472
3VS7
(37%)
+
KS1_B_6
QMean=0.560
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
78
8.1
2.0
103904339
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P4
:
(3 Cplx.)
RUN0
pKi= 5.8
79
6.2
2.1
103905304
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
80
8.1
1.7
103904339
3VS1
(37%)
+
VSA_B_8
QMean=0.563
P1
:
(6 Cplx.)
RUN2
pKi= 5.8
81
8.0
2.5
103905304
2C0O
(37%)
+
L2G_A_3
QMean=0.559
P1
:
(6 Cplx.)
RUN0
pKi= 5.8
82
7.4
2.5
103905670
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
83
7.0
2.3
103904951
3VRY
(37%)
+
B43_A_3
QMean=0.554
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
84
7.9
1.8
103904336
2C0T
(37%)
+
L3G_A_3
QMean=0.584
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
85
6.4
1.6
103904502
3GEQ
(45%)
+
PP2_B_4
QMean=0.580
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
86
7.0
2.3
103904951
3VRY
(37%)
+
B43_A_3
QMean=0.554
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
87
6.3
1.9
103904502
1M52
(43%)
+
P17_A_5
QMean=0.577
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
88
8.5
2.0
103904336
3VRZ
(37%)
+
VRZ_B_8
QMean=0.596
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
89
6.2
1.7
103904502
3VS4
(37%)
+
VSF_A_5
QMean=0.569
P1
:
(11 Cplx.)
RUN1
pKi= 5.7
90
5.1
2.5
103905291
1M52
(43%)
+
P17_A_5
QMean=0.577
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
91
7.8
1.6
103904336
3VS0
(37%)
+
VS0_A_5
QMean=0.534
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
92
4.4
2.4
103905284
2C0I
(37%)
+
L1G_A_3
QMean=0.574
P1
:
(10 Cplx.)
RUN1
pKi= 5.7
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.13
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