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