Screening Results : Docking based on all models from entry : KCC2A_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 5.2 0.71039041982XUU (34%) + ADP_A_2
QMean=0.409
P1: (4 Cplx.) RUN1 pKi= 5
2 3.5 0.81039052824FG8 (42%) + ATP_A_3
QMean=0.499
P2: (4 Cplx.) RUN2 pKi= 4.2
3 5.4 0.81039041984FG8 (42%) + ATP_A_3
QMean=0.499
P1: (6 Cplx.) RUN2 pKi= 5
4 5.6 0.91039050894FG8 (42%) + ATP_A_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 5
5 6.8 1.01039045032XUU (34%) + ADP_A_2
QMean=0.409
P1: (10 Cplx.) RUN0 pKi= 5.7
6 4.5 1.11039047072XUU (34%) + ADP_A_2
QMean=0.409
P3: (3 Cplx.) RUN1 pKi= 4.4
7 7.5 1.11039041992XUU (34%) + ADP_A_2
QMean=0.409
P1: (4 Cplx.) RUN1 pKi= 6.4
8 5.9 1.11039052754FG8 (42%) + ATP_A_3
QMean=0.499
P3: (3 Cplx.) RUN2 pKi= 4.8
9 6.5 1.21039052764FG8 (42%) + ATP_A_3
QMean=0.499
P1: (4 Cplx.) RUN2 pKi= 6.8
10 6.8 1.21039045032XUU (34%) + ADP_A_2
QMean=0.409
P1: (9 Cplx.) RUN2 pKi= 5.7
11 5.5 1.21039042082Y7J (40%) + B49_A_5
QMean=0.505
P2: (3 Cplx.) RUN2 pKi= 5.7
12 6.0 1.21039052762XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN1 pKi= 6.8
13 6.5 1.21039042072XUU (34%) + ADP_A_2
QMean=0.409
P1: (9 Cplx.) RUN1 pKi= 5.8
14 6.8 1.21039045032XUU (34%) + ADP_A_2
QMean=0.409
P1: (11 Cplx.) RUN1 pKi= 5.7
15 5.8 1.31039052744FG8 (42%) + ATP_A_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 4.1
16 6.5 1.31039042072XUU (34%) + ADP_A_2
QMean=0.409
P1: (11 Cplx.) RUN2 pKi= 5.8
17 7.4 1.31039049172XUU (34%) + ADP_A_2
QMean=0.409
P1: (3 Cplx.) RUN2 pKi= 5.6
18 7.4 1.31039041972XUU (34%) + ADP_A_2
QMean=0.409
P3: (3 Cplx.) RUN2 pKi= 5.5
19 7.3 1.31039041992XUU (34%) + ADP_A_2
QMean=0.409
P1: (3 Cplx.) RUN0 pKi= 6.4
20 6.5 1.31039041913C0H (46%) + AMP_B_4
QMean=0.484
P1: (4 Cplx.) RUN2 pKi= 6.1
21 6.4 1.31039048182V7O (89%) + DRN_A_2
QMean=0.516
P2: (3 Cplx.) RUN2 pKi= 6.6
22 6.3 1.41039046823C0H (46%) + AMP_B_4
QMean=0.484
P3: (3 Cplx.) RUN1 pKi= 5.4
23 5.6 1.41039055792XUU (34%) + ADP_A_2
QMean=0.409
P2: (3 Cplx.) RUN1 pKi= 4.3
24 4.0 1.41039054624FG8 (42%) + ATP_A_3
QMean=0.499
P1: (6 Cplx.) RUN2 pKi= 4.2
25 5.4 1.41039048542Y7J (40%) + B49_A_5
QMean=0.505
P2: (6 Cplx.) RUN1 pKi= 4.7
26 7.8 1.41039041994FG8 (42%) + ATP_A_3
QMean=0.499
P1: (3 Cplx.) RUN2 pKi= 6.4
27 4.4 1.41039055802Y7J (40%) + B49_A_5
QMean=0.505
P2: (4 Cplx.) RUN2 pKi= 4.3
28 3.4 1.41039044422Y7J (40%) + B49_A_5
QMean=0.505
P2: (3 Cplx.) RUN2 pKi= 4.5
29 5.0 1.41039052823ZXT (36%) + ACP_C_12
QMean=0.462
P1: (6 Cplx.) RUN1 pKi= 4.2
30 7.8 1.41039042002XUU (34%) + ADP_A_2
QMean=0.409
P1: (6 Cplx.) RUN1 pKi= 6.7
31 6.9 1.41039041912Y7J (40%) + B49_A_5
QMean=0.505
P1: (5 Cplx.) RUN0 pKi= 6.1
32 4.6 1.41039055802Y7J (40%) + B49_A_5
QMean=0.505
P1: (5 Cplx.) RUN1 pKi= 4.3
33 7.9 1.41039041892XUU (34%) + ADP_A_2
QMean=0.409
P1: (4 Cplx.) RUN1 pKi= 6.8
34 7.9 1.41039041932XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN1 pKi= 6.8
35 7.8 1.41039041902XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN2 pKi= 6.7
36 6.4 1.41039042073C0H (46%) + AMP_B_4
QMean=0.484
P1: (8 Cplx.) RUN0 pKi= 5.8
37 6.8 1.41039052133C0G (46%) + 3AM_B_4
QMean=0.427
P1: (4 Cplx.) RUN1 pKi= 5.4
38 7.1 1.51039045053NYV (39%) + DTQ_A_2
QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 6.4
39 7.6 1.51039044854GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (4 Cplx.) RUN2 pKi= 6
40 7.6 1.51039042002CKE (37%) + IQU_D_8
QMean=0.448
P1: (5 Cplx.) RUN2 pKi= 6.7
41 7.4 1.51039041892CKE (37%) + IQU_D_8
QMean=0.448
P2: (4 Cplx.) RUN0 pKi= 6.8
42 5.1 1.51039048544GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (5 Cplx.) RUN2 pKi= 4.7
43 7.6 1.51039041904FG8 (42%) + ATP_A_3
QMean=0.499
P1: (5 Cplx.) RUN1 pKi= 6.7
44 4.0 1.51039044423BHH (90%) + 5CP_B_6
QMean=0.509
P2: (4 Cplx.) RUN1 pKi= 4.5
45 5.8 1.51039052953ZXT (36%) + ACP_C_12
QMean=0.462
P1: (4 Cplx.) RUN1 pKi= 4.2
46 5.6 1.51039056142XUU (34%) + ADP_A_2
QMean=0.409
P1: (3 Cplx.) RUN2 pKi= 5.4
47 7.3 1.51039041934FG8 (42%) + ATP_A_3
QMean=0.499
P1: (4 Cplx.) RUN2 pKi= 6.8
48 7.3 1.51039041974FG8 (42%) + ATP_A_3
QMean=0.499
P1: (5 Cplx.) RUN1 pKi= 5.5
49 6.1 1.61039041913C0H (46%) + AMP_B_4
QMean=0.484
P2: (3 Cplx.) RUN1 pKi= 6.1
50 4.0 1.61039050404FG8 (42%) + ATP_A_3
QMean=0.499
P1: (5 Cplx.) RUN2 pKi= 4.1
51 5.6 1.61039055794GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (6 Cplx.) RUN2 pKi= 4.3
52 3.4 1.61039056014GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (5 Cplx.) RUN2 pKi= 4
53 4.7 1.61039055082Y7J (40%) + B49_A_5
QMean=0.505
P2: (4 Cplx.) RUN2 pKi= 4.5
54 7.7 1.61039045053UPX (39%) + B6A_A_2
QMean=0.495
P1: (3 Cplx.) RUN0 pKi= 6.4
55 5.7 1.61039050292CKE (37%) + IQU_D_8
QMean=0.448
P1: (7 Cplx.) RUN2 pKi= 4.6
56 6.5 1.61039042082XUU (34%) + ADP_A_2
QMean=0.409
P1: (7 Cplx.) RUN1 pKi= 5.7
57 5.4 1.61039052744FG8 (42%) + ATP_A_3
QMean=0.499
P1: (3 Cplx.) RUN2 pKi= 4.1
58 5.7 1.61039050292CKE (37%) + IQU_D_8
QMean=0.448
P1: (8 Cplx.) RUN1 pKi= 4.6
59 6.3 1.61039050562W4O (42%) + DKI_A_2
QMean=0.432
P1: (3 Cplx.) RUN1 pKi= 5.5
60 3.8 1.61039056522XUU (34%) + ADP_A_2
QMean=0.409
P1: (8 Cplx.) RUN2 pKi= 4.7
61 6.1 1.61039056144FG8 (42%) + ATP_A_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 5.4
62 5.6 1.61039050292W4O (42%) + DKI_A_2
QMean=0.432
P2: (4 Cplx.) RUN0 pKi= 4.6
63 3.5 1.61039050402CKE (37%) + IQU_D_8
QMean=0.448
P1: (4 Cplx.) RUN1 pKi= 4.1
64 6.2 1.61039044412V7O (89%) + DRN_A_2
QMean=0.516
P2: (4 Cplx.) RUN2 pKi= 5.8
65 4.9 1.61039047072Y7J (40%) + B49_A_5
QMean=0.505
P1: (3 Cplx.) RUN2 pKi= 4.4
66 7.2 1.61039044852Y7J (40%) + B49_A_5
QMean=0.505
P1: (3 Cplx.) RUN1 pKi= 6
67 7.6 1.71039041894FG8 (42%) + ATP_A_3
QMean=0.499
P1: (3 Cplx.) RUN2 pKi= 6.8
68 6.2 1.71039051633IGO (39%) + ANP_A_5
QMean=0.475
P2: (3 Cplx.) RUN0 pKi= 5.2
69 7.2 1.71039050572Y7J (40%) + B49_A_5
QMean=0.505
P2: (3 Cplx.) RUN1 pKi= 6.3
70 7.3 1.71039044863BHH (90%) + 5CP_B_6
QMean=0.509
P2: (3 Cplx.) RUN1 pKi= 6.4
71 8.0 1.71039041904FG8 (42%) + ATP_A_3
QMean=0.499
P2: (3 Cplx.) RUN0 pKi= 6.7
72 6.4 1.71039053683IGO (39%) + ANP_A_5
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 6.3
73 3.0 1.71039056013UPX (39%) + B6A_A_2
QMean=0.495
P2: (3 Cplx.) RUN1 pKi= 4
74 5.1 1.71039048544GV1 (33%) + 0XZ_A_2
QMean=0.450
P2: (4 Cplx.) RUN0 pKi= 4.7
75 5.7 1.71039055033BHH (90%) + 5CP_B_6
QMean=0.509
P1: (6 Cplx.) RUN1 pKi= 5.5
76 5.1 1.81039045062CKE (37%) + IQU_D_8
QMean=0.448
P1: (6 Cplx.) RUN2 pKi= 4.1
77 7.1 1.81039051112Y7J (40%) + B49_A_5
QMean=0.505
P1: (9 Cplx.) RUN1 pKi= 5.6
78 5.6 1.81039054562W4O (42%) + DKI_A_2
QMean=0.432
P3: (3 Cplx.) RUN1 pKi= 4.1
79 3.8 1.81039056524FG8 (42%) + ATP_A_3
QMean=0.499
P2: (6 Cplx.) RUN1 pKi= 4.7
80 7.1 1.81039055313C0H (46%) + AMP_B_4
QMean=0.484
P1: (6 Cplx.) RUN1 pKi= 8.5
81 5.6 1.81039053682XUU (34%) + ADP_A_2
QMean=0.409
P2: (3 Cplx.) RUN2 pKi= 6.3
82 4.1 1.81039056112WEL (90%) + K88_A_3
QMean=0.458
P3: (3 Cplx.) RUN1 pKi= 4.2
83 6.1 1.81039051633IGO (39%) + ANP_A_5
QMean=0.475
P2: (3 Cplx.) RUN2 pKi= 5.2
84 6.7 1.91039050562CKE (37%) + IQU_D_8
QMean=0.448
P2: (3 Cplx.) RUN2 pKi= 5.5
85 7.8 1.91039055313C0H (46%) + AMP_B_4
QMean=0.484
P1: (5 Cplx.) RUN2 pKi= 8.5
86 5.4 1.91039049773UPX (39%) + B6A_A_2
QMean=0.495
P3: (3 Cplx.) RUN1 pKi= 5.7
87 6.6 1.91039054062W4O (42%) + DKI_A_2
QMean=0.432
P1: (4 Cplx.) RUN1 pKi= 5.5
88 8.2 1.91039045992XUU (34%) + ADP_A_2
QMean=0.409
P2: (3 Cplx.) RUN1 pKi= 5.4
89 3.6 1.91039054623BHH (90%) + 5CP_B_6
QMean=0.509
P3: (3 Cplx.) RUN1 pKi= 4.2
90 7.2 1.91039052733C0H (46%) + AMP_B_4
QMean=0.484
P2: (3 Cplx.) RUN0 pKi= 6.5
91 6.0 1.91039053682XUU (34%) + ADP_A_2
QMean=0.409
P2: (5 Cplx.) RUN1 pKi= 6.3
92 7.4 1.91039044623UPX (39%) + B6A_A_2
QMean=0.495
P1: (3 Cplx.) RUN1 pKi= 7.2
93 3.2 1.91039052973C0H (46%) + AMP_B_4
QMean=0.484
P2: (3 Cplx.) RUN1 pKi= 4.8
94 7.4 2.01039047393UPX (39%) + B6A_A_2
QMean=0.495
P1: (3 Cplx.) RUN2 pKi= 5.5
95 7.9 2.01039044852CKE (37%) + IQU_D_8
QMean=0.448
P1: (5 Cplx.) RUN0 pKi= 6
96 5.8 2.01039053172W4O (42%) + DKI_A_2
QMean=0.432
P1: (3 Cplx.) RUN1 pKi= 5.5
97 6.6 2.01039042082XUU (34%) + ADP_A_2
QMean=0.409
P1: (7 Cplx.) RUN0 pKi= 5.7
98 4.0 2.01039055193ZXT (36%) + ACP_C_12
QMean=0.462
P2: (4 Cplx.) RUN1 pKi= 4.2
99 7.1 2.01039045913C0H (46%) + AMP_B_4
QMean=0.484
P1: (3 Cplx.) RUN1 pKi= 6.2
100 6.2 2.01039052263BHH (90%) + 5CP_B_6
QMean=0.509
P1: (3 Cplx.) RUN1 pKi= 5.8
101 6.3 2.01039048622V7O (89%) + DRN_A_2
QMean=0.516
P2: (3 Cplx.) RUN1 pKi= 5.6
102 6.8 2.01039050562V7O (89%) + DRN_A_2
QMean=0.516
P1: (5 Cplx.) RUN0 pKi= 5.5
103 4.1 2.01039055192XUU (34%) + ADP_A_2
QMean=0.409
P1: (4 Cplx.) RUN2 pKi= 4.2
104 8.0 2.01039052132CKE (37%) + IQU_D_8
QMean=0.448
P1: (4 Cplx.) RUN2 pKi= 5.4
105 5.9 2.01039053173NYV (39%) + DTQ_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 5.5
106 7.0 2.01039044042Y7J (40%) + B49_A_5
QMean=0.505
P3: (3 Cplx.) RUN0 pKi= 5.7
107 8.1 2.01039055313C0H (46%) + AMP_B_4
QMean=0.484
P1: (4 Cplx.) RUN0 pKi= 8.5
108 8.4 2.11039044863C0H (46%) + AMP_B_4
QMean=0.484
P1: (4 Cplx.) RUN0 pKi= 6.4
109 6.5 2.11039046823V5P (39%) + C88_A_2
QMean=0.465
P1: (5 Cplx.) RUN2 pKi= 5.4
110 6.9 2.11039056572XUU (34%) + ADP_A_2
QMean=0.409
P1: (3 Cplx.) RUN1 pKi= 6.5
111 4.9 2.11039047352VN9 (92%) + GVD_A_7
QMean=0.512
P2: (3 Cplx.) RUN1 pKi= 4.9
112 6.6 2.11039047352XUU (34%) + ADP_A_2
QMean=0.409
P1: (10 Cplx.) RUN0 pKi= 4.9
113 3.2 2.21039056112W4O (42%) + DKI_A_2
QMean=0.432
P2: (4 Cplx.) RUN2 pKi= 4.2
114 6.2 2.21039044034FG8 (42%) + ATP_A_3
QMean=0.499
P1: (4 Cplx.) RUN2 pKi= 5.3
115 3.9 2.21039053064GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (7 Cplx.) RUN1 pKi= 4.8
116 4.8 2.21039056393NYV (39%) + DTQ_A_2
QMean=0.468
P2: (3 Cplx.) RUN2 pKi= 7.4
117 7.4 2.21039053263UPX (39%) + B6A_A_2
QMean=0.495
P1: (3 Cplx.) RUN2 pKi= 5.4
118 6.2 2.21039044414GV1 (33%) + 0XZ_A_2
QMean=0.450
P2: (3 Cplx.) RUN1 pKi= 5.8
119 7.5 2.21039044022Y7J (40%) + B49_A_5
QMean=0.505
P1: (4 Cplx.) RUN1 pKi= 5.7
120 7.4 2.21039051112WEL (90%) + K88_A_3
QMean=0.458
P1: (8 Cplx.) RUN0 pKi= 5.6
121 5.5 2.21039047354GV1 (33%) + 0XZ_A_2
QMean=0.450
P2: (3 Cplx.) RUN2 pKi= 4.9
122 8.6 2.21039044622Y7J (40%) + B49_A_5
QMean=0.505
P1: (4 Cplx.) RUN0 pKi= 7.2
123 5.0 2.21039055083ZXT (36%) + ACP_C_12
QMean=0.462
P1: (6 Cplx.) RUN1 pKi= 4.5
124 4.4 2.31039050732Y7J (40%) + B49_A_5
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 4
125 7.2 2.31039055602WEL (90%) + K88_A_3
QMean=0.458
P2: (3 Cplx.) RUN1 pKi= 6
126 6.5 2.31039056462XUU (34%) + ADP_A_2
QMean=0.409
P2: (3 Cplx.) RUN1 pKi= 5.6
127 5.8 2.31039052752XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN1 pKi= 4.8
128 4.1 2.31039053064GV1 (33%) + 0XZ_A_2
QMean=0.450
P1: (4 Cplx.) RUN2 pKi= 4.8
129 7.3 2.31039044022Y7J (40%) + B49_A_5
QMean=0.505
P2: (3 Cplx.) RUN0 pKi= 5.7
130 7.5 2.31039048182XUU (34%) + ADP_A_2
QMean=0.409
P1: (7 Cplx.) RUN1 pKi= 6.6
131 6.7 2.31039056702V7O (89%) + DRN_A_2
QMean=0.516
P1: (3 Cplx.) RUN2 pKi= 6.8
132 3.3 2.31039052973C0H (46%) + AMP_B_4
QMean=0.484
P1: (3 Cplx.) RUN2 pKi= 4.8
133 6.8 2.31039054062W4O (42%) + DKI_A_2
QMean=0.432
P1: (5 Cplx.) RUN2 pKi= 5.5
134 8.1 2.31039045983BHH (90%) + 5CP_B_6
QMean=0.509
P1: (3 Cplx.) RUN2 pKi= 6.2
135 6.6 2.41039046442CKE (37%) + IQU_D_8
QMean=0.448
P1: (3 Cplx.) RUN1 pKi= 5.3
136 6.3 2.41039049253BHH (90%) + 5CP_B_6
QMean=0.509
P2: (3 Cplx.) RUN0 pKi= 5.5
137 6.6 2.41039053262WEL (90%) + K88_A_3
QMean=0.458
P2: (4 Cplx.) RUN0 pKi= 5.4
138 7.5 2.41039049173NYV (39%) + DTQ_A_2
QMean=0.468
P2: (4 Cplx.) RUN0 pKi= 5.6
139 8.2 2.41039052132XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN0 pKi= 5.4
140 8.0 2.41039048263C0H (46%) + AMP_B_4
QMean=0.484
P1: (3 Cplx.) RUN2 pKi= 5.4
141 8.5 2.41039044622Y7J (40%) + B49_A_5
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 7.2
142 7.0 2.41039045913C0G (46%) + 3AM_B_4
QMean=0.427
P1: (3 Cplx.) RUN2 pKi= 6.2
143 6.4 2.41039056042W4O (42%) + DKI_A_2
QMean=0.432
P2: (4 Cplx.) RUN1 pKi= 6
144 6.2 2.41039052732V7O (89%) + DRN_A_2
QMean=0.516
P1: (3 Cplx.) RUN1 pKi= 6.5
145 6.8 2.51039056574GV1 (33%) + 0XZ_A_2
QMean=0.450
P2: (3 Cplx.) RUN2 pKi= 6.5
146 6.6 2.51039044042XUU (34%) + ADP_A_2
QMean=0.409
P1: (3 Cplx.) RUN1 pKi= 5.7
147 6.3 2.51039056643BHH (90%) + 5CP_B_6
QMean=0.509
P1: (6 Cplx.) RUN1 pKi= 5.4
148 7.4 2.51039053262XUU (34%) + ADP_A_2
QMean=0.409
P1: (5 Cplx.) RUN1 pKi= 5.4
149 6.7 2.51039044412Y7J (40%) + B49_A_5
QMean=0.505
P1: (10 Cplx.) RUN0 pKi= 5.8
150 5.2 2.51039056203C0H (46%) + AMP_B_4
QMean=0.484
P1: (3 Cplx.) RUN1 pKi= 5.9

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.73



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