Screening Results : Docking based on all models from entry : MATK_HUMAN




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Study : Show results: Values:




Color code: [ Good | Correct | Uncertain | Dubius ] - pKd: [ ‹nMol | ‹μMol | ‹mMol | ›mMol]

Complex support
[Template (Ident) + Anchor]
Model Quality (QMean)
Position of Lig. Study Measure
1 8.2 0.81039047842C0T (37%) + L3G_A_3
QMean=0.584
P1: (7 Cplx.) RUN1 pKi= 6
2 9.7 1.01039047842C0O (37%) + L2G_A_3
QMean=0.559
P1: (6 Cplx.) RUN2 pKi= 6
3 7.7 1.01039043352C0O (37%) + L2G_A_3
QMean=0.559
P1: (8 Cplx.) RUN2 pKi= 6.2
4 7.5 1.01039042763VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (6 Cplx.) RUN2 pKi= 6.1
5 8.4 1.11039042722C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN2 pKi= 7.4
6 9.3 1.21039043203VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (6 Cplx.) RUN2 pKi= 6.6
7 8.6 1.21039042803VS1 (37%) + VSA_B_8
QMean=0.563
P1: (7 Cplx.) RUN1 pKi= 5.8
8 8.3 1.21039048562C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN2 pKi= 6
9 9.0 1.31039048563VRZ (37%) + VRZ_B_8
QMean=0.596
P2: (3 Cplx.) RUN0 pKi= 6
10 7.9 1.41039043662C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN2 pKi= 6.4
11 7.5 1.41039043392C0T (37%) + L3G_A_3
QMean=0.584
P1: (7 Cplx.) RUN1 pKi= 5.8
12 6.9 1.41039042763VS6 (37%) + VSH_A_6
QMean=0.591
P1: (5 Cplx.) RUN1 pKi= 6.1
13 7.2 1.41039043553VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (3 Cplx.) RUN2 pKi= 5.8
14 7.8 1.41039043353VS1 (37%) + VSA_B_8
QMean=0.563
P1: (7 Cplx.) RUN1 pKi= 6.2
15 7.3 1.41039045921M52 (43%) + P17_A_5
QMean=0.577
P1: (4 Cplx.) RUN2 pKi= 6.5
16 7.5 1.51039053042C0O (37%) + L2G_A_3
QMean=0.559
P4: (3 Cplx.) RUN1 pKi= 5.8
17 9.0 1.51039043203VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (3 Cplx.) RUN1 pKi= 6.6
18 8.5 1.51039042882C0T (37%) + L3G_A_3
QMean=0.584
P1: (8 Cplx.) RUN2 pKi= 5.8
19 9.3 1.51039043263VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (5 Cplx.) RUN2 pKi= 6.5
20 8.4 1.51039042803VS0 (37%) + VS0_A_5
QMean=0.534
P1: (6 Cplx.) RUN2 pKi= 5.8
21 8.2 1.51039048562C0O (37%) + L2G_A_3
QMean=0.559
P1: (6 Cplx.) RUN1 pKi= 6
22 8.7 1.51039042772C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN2 pKi= 6.8
23 6.4 1.61039045023GEQ (45%) + PP2_B_4
QMean=0.580
P2: (4 Cplx.) RUN2 pKi= 5.7
24 7.8 1.61039043363VS0 (37%) + VS0_A_5
QMean=0.534
P1: (5 Cplx.) RUN2 pKi= 5.7
25 8.3 1.61039043352C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN0 pKi= 6.2
26 7.1 1.61039042883VRZ (37%) + VRZ_B_8
QMean=0.596
P2: (3 Cplx.) RUN1 pKi= 5.8
27 8.7 1.61039043263VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (5 Cplx.) RUN1 pKi= 6.5
28 6.0 1.71039049133VS4 (37%) + VSF_A_5
QMean=0.569
P2: (4 Cplx.) RUN1 pKi= 6.4
29 8.1 1.71039042763VS1 (37%) + VSA_B_8
QMean=0.563
P1: (6 Cplx.) RUN0 pKi= 6.1
30 8.1 1.71039043393VS1 (37%) + VSA_B_8
QMean=0.563
P1: (6 Cplx.) RUN2 pKi= 5.8
31 7.7 1.71039047583VS6 (37%) + VSH_A_6
QMean=0.591
P1: (4 Cplx.) RUN1 pKi= 6.1
32 8.0 1.71039042772C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN1 pKi= 6.8
33 6.4 1.71039043523VS1 (37%) + VSA_B_8
QMean=0.563
P2: (4 Cplx.) RUN2 pKi= 6.2
34 6.2 1.71039045023VS4 (37%) + VSF_A_5
QMean=0.569
P1: (11 Cplx.) RUN1 pKi= 5.7
35 6.6 1.81039049062Z60 (43%) + P3Y_A_2
QMean=0.565
P2: (4 Cplx.) RUN2 pKi= 5.9
36 6.6 1.81039049042Z60 (43%) + P3Y_A_2
QMean=0.565
P2: (4 Cplx.) RUN2 pKi= 5.9
37 6.8 1.81039056702C0O (37%) + L2G_A_3
QMean=0.559
P1: (3 Cplx.) RUN2 pKi= 5.8
38 7.1 1.81039042163VS6 (37%) + VSH_A_6
QMean=0.591
P1: (7 Cplx.) RUN1 pKi= 5.8
39 6.9 1.81039042163VRY (37%) + B43_A_3
QMean=0.554
P1: (5 Cplx.) RUN2 pKi= 5.8
40 8.6 1.81039042772C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN0 pKi= 6.8
41 6.0 1.81039044023VS0 (37%) + VS0_A_5
QMean=0.534
P2: (4 Cplx.) RUN1 pKi= 7.2
42 7.9 1.81039043362C0T (37%) + L3G_A_3
QMean=0.584
P1: (6 Cplx.) RUN1 pKi= 5.7
43 9.0 1.81039042722C0T (37%) + L3G_A_3
QMean=0.584
P1: (6 Cplx.) RUN1 pKi= 7.4
44 7.7 1.81039043662C0T (37%) + L3G_A_3
QMean=0.584
P1: (4 Cplx.) RUN1 pKi= 6.4
45 9.2 1.91039042723VRZ (37%) + VRZ_B_8
QMean=0.596
P2: (4 Cplx.) RUN0 pKi= 7.4
46 6.3 1.91039045021M52 (43%) + P17_A_5
QMean=0.577
P1: (4 Cplx.) RUN0 pKi= 5.7
47 8.6 1.91039042803VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (5 Cplx.) RUN0 pKi= 5.8
48 9.8 1.91039044113VRY (37%) + B43_A_3
QMean=0.554
P1: (4 Cplx.) RUN2 pKi= 5.8
49 7.7 1.91039047583VS6 (37%) + VSH_A_6
QMean=0.591
P1: (5 Cplx.) RUN0 pKi= 6.1
50 9.0 1.91039043663CS9 (44%) + NIL_A_5
QMean=0.565
P3: (3 Cplx.) RUN0 pKi= 6.4
51 6.2 1.91039046041M52 (43%) + P17_A_5
QMean=0.577
P1: (6 Cplx.) RUN2 pKi= 6.3
52 7.4 1.91039054103VRY (37%) + B43_A_3
QMean=0.554
P2: (3 Cplx.) RUN1 pKi= 6
53 7.8 1.91039054723CS9 (44%) + NIL_A_5
QMean=0.565
P3: (3 Cplx.) RUN1 pKi= 5.8
54 6.8 1.91039043553VS1 (37%) + VSA_B_8
QMean=0.563
P1: (3 Cplx.) RUN1 pKi= 5.8
55 7.1 1.91039043552C0O (37%) + L2G_A_3
QMean=0.559
P1: (4 Cplx.) RUN0 pKi= 5.8
56 7.2 2.01039047583VS1 (37%) + VSA_B_8
QMean=0.563
P1: (7 Cplx.) RUN2 pKi= 6.1
57 8.5 2.01039043363VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (4 Cplx.) RUN0 pKi= 5.7
58 7.7 2.01039047593VS7 (37%) + KS1_B_6
QMean=0.560
P1: (5 Cplx.) RUN1 pKi= 7.1
59 5.1 2.01039056751M52 (43%) + P17_A_5
QMean=0.577
P2: (4 Cplx.) RUN1 pKi= 6.3
60 6.3 2.01039046033VS0 (37%) + VS0_A_5
QMean=0.534
P1: (3 Cplx.) RUN1 pKi= 6.9
61 7.9 2.01039049532C0O (37%) + L2G_A_3
QMean=0.559
P1: (4 Cplx.) RUN1 pKi= 6.7
62 8.1 2.01039043393VS1 (37%) + VSA_B_8
QMean=0.563
P4: (3 Cplx.) RUN0 pKi= 5.8
63 7.6 2.01039047593VRY (37%) + B43_A_3
QMean=0.554
P1: (5 Cplx.) RUN2 pKi= 7.1
64 5.4 2.01039049042C0O (37%) + L2G_A_3
QMean=0.559
P2: (5 Cplx.) RUN1 pKi= 5.9
65 5.4 2.01039049062C0O (37%) + L2G_A_3
QMean=0.559
P1: (6 Cplx.) RUN1 pKi= 5.9
66 6.7 2.11039044023VRY (37%) + B43_A_3
QMean=0.554
P1: (4 Cplx.) RUN2 pKi= 7.2
67 6.2 2.11039053043VS1 (37%) + VSA_B_8
QMean=0.563
P1: (4 Cplx.) RUN2 pKi= 5.8
68 6.0 2.11039054883VS4 (37%) + VSF_A_5
QMean=0.569
P2: (3 Cplx.) RUN1 pKi= 6
69 10.8 2.11039044112C0T (37%) + L3G_A_3
QMean=0.584
P1: (3 Cplx.) RUN1 pKi= 5.8
70 6.6 2.21039054103VS7 (37%) + KS1_B_6
QMean=0.560
P3: (3 Cplx.) RUN2 pKi= 6
71 7.3 2.21039052643VS4 (37%) + VSF_A_5
QMean=0.569
P1: (7 Cplx.) RUN2 pKi= 6
72 5.9 2.21039045943TT0 (44%) + 07J_A_3
QMean=0.566
P2: (3 Cplx.) RUN1 pKi= 6.4
73 9.7 2.21039043203VS6 (37%) + VSH_A_6
QMean=0.591
P1: (6 Cplx.) RUN0 pKi= 6.6
74 6.5 2.21039049533VS5 (37%) + VSG_A_3
QMean=0.587
P1: (4 Cplx.) RUN2 pKi= 6.7
75 6.9 2.21039056702C0T (37%) + L3G_A_3
QMean=0.584
P2: (3 Cplx.) RUN1 pKi= 5.8
76 8.8 2.31039042882C0T (37%) + L3G_A_3
QMean=0.584
P1: (4 Cplx.) RUN0 pKi= 5.8
77 6.3 2.31039049122Z60 (43%) + P3Y_A_2
QMean=0.565
P1: (3 Cplx.) RUN2 pKi= 7.1
78 7.0 2.31039049513VRY (37%) + B43_A_3
QMean=0.554
P2: (3 Cplx.) RUN2 pKi= 5.7
79 7.0 2.31039049513VRY (37%) + B43_A_3
QMean=0.554
P1: (4 Cplx.) RUN0 pKi= 5.7
80 7.5 2.31039047593VS4 (37%) + VSF_A_5
QMean=0.569
P1: (3 Cplx.) RUN0 pKi= 7.1
81 6.8 2.31039047393VS1 (37%) + VSA_B_8
QMean=0.563
P2: (3 Cplx.) RUN2 pKi= 6.2
82 5.5 2.41039056753MS9 (43%) + STI_B_9
QMean=0.600
P3: (3 Cplx.) RUN2 pKi= 6.3
83 4.4 2.41039052842C0I (37%) + L1G_A_3
QMean=0.574
P1: (10 Cplx.) RUN1 pKi= 5.7
84 7.7 2.41039054723VS7 (37%) + KS1_B_6
QMean=0.560
P1: (4 Cplx.) RUN2 pKi= 5.8
85 5.8 2.41039046042G2H (44%) + P16_B_4
QMean=0.574
P2: (3 Cplx.) RUN1 pKi= 6.3
86 7.0 2.41039049063VS5 (37%) + VSG_A_3
QMean=0.587
P1: (3 Cplx.) RUN0 pKi= 5.9
87 6.9 2.41039043522C0O (37%) + L2G_A_3
QMean=0.559
P1: (5 Cplx.) RUN1 pKi= 6.2
88 9.0 2.51039043263VRZ (37%) + VRZ_B_8
QMean=0.596
P1: (5 Cplx.) RUN0 pKi= 6.5
89 6.8 2.51039045963VS2 (37%) + VSB_A_3
QMean=0.550
P1: (3 Cplx.) RUN2 pKi= 6.8
90 5.1 2.51039052911M52 (43%) + P17_A_5
QMean=0.577
P1: (4 Cplx.) RUN2 pKi= 5.7
91 8.0 2.51039053042C0O (37%) + L2G_A_3
QMean=0.559
P1: (6 Cplx.) RUN0 pKi= 5.8
92 7.4 2.51039056703VRZ (37%) + VRZ_B_8
QMean=0.596
P2: (3 Cplx.) RUN0 pKi= 5.8

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.13



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