Screening Results : Docking based on all models from entry : MARK4_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 5.4 1.21039056482J4Z (33%) + 626_B_6
QMean=0.491
P2: (4 Cplx.) RUN2 pKi= 6
2 5.5 1.31039054193UOK (34%) + 0C6_B_4
QMean=0.466
P2: (4 Cplx.) RUN1 pKi= 6.2
3 4.6 1.31039054193UO5 (34%) + 0BX_A_2
QMean=0.434
P2: (3 Cplx.) RUN2 pKi= 6.2
4 6.2 1.41039045033UO4 (34%) + 0C0_A_2
QMean=0.440
P1: (10 Cplx.) RUN0 pKi= 7.1
5 7.3 1.41039055314B8L (32%) + A0P_A_3
QMean=0.484
P1: (5 Cplx.) RUN2 pKi= 9.1
6 6.7 1.51039046013UOJ (34%) + 0C5_B_4
QMean=0.460
P1: (5 Cplx.) RUN1 pKi= 6.4
7 4.8 1.51039056483UO5 (34%) + 0BX_A_2
QMean=0.434
P1: (4 Cplx.) RUN1 pKi= 6
8 5.4 1.61039046013UOL (34%) + 0C7_A_3
QMean=0.520
P1: (8 Cplx.) RUN2 pKi= 6.4
9 7.2 1.61039045914DEB (34%) + NHJ_A_2
QMean=0.445
P1: (14 Cplx.) RUN2 pKi= 9.3
10 8.2 1.61039049603N51 (39%) + BK3_A_2
QMean=0.471
P1: (4 Cplx.) RUN0 pKi= 8.1
11 7.4 1.61039055314B8L (32%) + A0P_A_3
QMean=0.484
P1: (3 Cplx.) RUN0 pKi= 9.1
12 7.3 1.61039045913UOK (34%) + 0C6_B_4
QMean=0.466
P1: (11 Cplx.) RUN1 pKi= 9.3
13 6.0 1.71039045033UO4 (34%) + 0C0_A_2
QMean=0.440
P1: (10 Cplx.) RUN2 pKi= 7.1
14 5.8 1.71039046843UPX (39%) + B6A_A_2
QMean=0.506
P1: (4 Cplx.) RUN1 pKi= 7
15 6.2 1.71039045033V5P (39%) + C88_A_2
QMean=0.492
P1: (7 Cplx.) RUN1 pKi= 7.1
16 6.3 1.81039048063UOK (34%) + 0C6_B_4
QMean=0.466
P1: (7 Cplx.) RUN2 pKi= 6.6
17 4.5 1.81039048063UOD (34%) + 0C3_A_2
QMean=0.476
P1: (4 Cplx.) RUN1 pKi= 6.6
18 6.5 1.81039055313EFW (34%) + AK8_A_3
QMean=0.472
P1: (4 Cplx.) RUN1 pKi= 9.1
19 7.2 1.81039056163UO5 (34%) + 0BX_A_2
QMean=0.434
P1: (14 Cplx.) RUN2 pKi= 7
20 6.5 1.81039042163EFW (34%) + AK8_A_3
QMean=0.472
P1: (4 Cplx.) RUN0 pKi= 6.4
21 8.2 1.81039045913UP7 (34%) + 0C9_A_2
QMean=0.419
P1: (9 Cplx.) RUN0 pKi= 9.3
22 6.3 1.81039046003UO4 (34%) + 0C0_A_2
QMean=0.440
P1: (4 Cplx.) RUN2 pKi= 7
23 7.8 1.91039049603V5P (39%) + C88_A_2
QMean=0.492
P1: (3 Cplx.) RUN1 pKi= 8.1
24 5.7 2.01039056844DEB (34%) + NHJ_A_2
QMean=0.445
P1: (5 Cplx.) RUN2 pKi= 7.3
25 6.4 2.01039056843UO4 (34%) + 0C0_A_2
QMean=0.440
P1: (5 Cplx.) RUN1 pKi= 7.3
26 6.5 2.01039048073UOH (34%) + 0C4_A_3
QMean=0.467
P1: (4 Cplx.) RUN1 pKi= 5.8
27 8.0 2.01039049603N51 (39%) + BK3_A_2
QMean=0.471
P1: (3 Cplx.) RUN2 pKi= 8.1
28 5.9 2.01039046013UOL (34%) + 0C7_A_3
QMean=0.520
P1: (3 Cplx.) RUN0 pKi= 6.4
29 5.6 2.01039042163UO5 (34%) + 0BX_A_2
QMean=0.434
P1: (7 Cplx.) RUN2 pKi= 6.4
30 7.4 2.01039056163UOK (34%) + 0C6_B_4
QMean=0.466
P1: (10 Cplx.) RUN0 pKi= 7
31 5.8 2.01039046843UPX (39%) + B6A_A_2
QMean=0.506
P1: (4 Cplx.) RUN2 pKi= 7
32 5.6 2.11039046844DEB (34%) + NHJ_A_2
QMean=0.445
P1: (3 Cplx.) RUN0 pKi= 7
33 6.2 2.11039051852UZU (33%) + L20_E_3
QMean=0.419
P1: (4 Cplx.) RUN1 pKi= 5.4
34 5.3 2.21039046003UOK (34%) + 0C6_B_4
QMean=0.466
P1: (5 Cplx.) RUN1 pKi= 7
35 4.0 2.21039051072UZT (33%) + SS3_A_3
QMean=0.450
P3: (3 Cplx.) RUN1 pKi= 7.3
36 6.7 2.21039051852UZU (33%) + L20_E_3
QMean=0.419
P1: (7 Cplx.) RUN2 pKi= 5.4
37 6.9 2.31039056164DEB (34%) + NHJ_A_2
QMean=0.445
P1: (13 Cplx.) RUN1 pKi= 7
38 5.6 2.41039051072OH0 (33%) + 2PY_C_3
QMean=0.426
P1: (4 Cplx.) RUN0 pKi= 7.3
39 5.2 2.51039048073HZT (40%) + J60_A_7
QMean=0.538
P1: (5 Cplx.) RUN2 pKi= 5.8

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.58



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