Screening Results : Docking based on all models from entry : KCC2A_HUMAN




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

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



Action on selected entries :