Screening Results : Docking based on all models from entry : ERBB2_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 10.7 1.01039055673PP0 (99%) + 03Q_B_4
QMean=0.528 		P2: (3 Cplx.) RUN1 pKi= 8.8
2 11.4 1.41039055673PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (3 Cplx.) RUN0 pKi= 8.8
3 11.1 0.91039055681XKK (78%) + FMM_A_4
QMean=0.506 		P1: (4 Cplx.) RUN1 pKi= 8.8
4 11.5 1.11039055683PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (8 Cplx.) RUN0 pKi= 8.8
5 9.8 1.01039055663PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (12 Cplx.) RUN1 pKi= 8.8
6 10.8 0.81039055683POZ (77%) + 03P_A_5
QMean=0.500 		P1: (5 Cplx.) RUN2 pKi= 8.8
7 10.2 1.01039055663PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (9 Cplx.) RUN2 pKi= 8.8
8 11.6 1.21039055673PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (6 Cplx.) RUN2 pKi= 8.8
9 7.8 2.51039044182J6M (77%) + AEE_A_2
QMean=0.492 		P1: (3 Cplx.) RUN2 pKi= 8
10 10.6 1.61039044183LZB (80%) + ITI_D_12
QMean=0.529 		P1: (3 Cplx.) RUN1 pKi= 8
11 8.4 1.51039049913W2S (77%) + W2R_A_2
QMean=0.530 		P1: (10 Cplx.) RUN1 pKi= 7.9
12 10.1 1.51039049913W33 (77%) + W19_A_2
QMean=0.524 		P1: (7 Cplx.) RUN0 pKi= 7.9
13 9.8 1.21039049913W33 (77%) + W19_A_2
QMean=0.524 		P1: (4 Cplx.) RUN2 pKi= 7.9
14 6.9 0.91039053394HJO (78%) + AQ4_A_2
QMean=0.539 		P1: (8 Cplx.) RUN2 pKi= 7.7
15 6.2 0.81039053394HJO (78%) + AQ4_A_2
QMean=0.539 		P2: (4 Cplx.) RUN1 pKi= 7.7
16 7.0 1.61039053394I24 (77%) + 1C9_B_4
QMean=0.510 		P2: (3 Cplx.) RUN0 pKi= 7.7
17 7.2 1.91039053431XKK (78%) + FMM_A_4
QMean=0.506 		P1: (3 Cplx.) RUN0 pKi= 7.6
18 7.5 1.01039053441XKK (78%) + FMM_A_4
QMean=0.506 		P1: (8 Cplx.) RUN2 pKi= 7.6
19 6.9 1.11039053434I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (8 Cplx.) RUN1 pKi= 7.6
20 7.6 1.31039053434I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (8 Cplx.) RUN2 pKi= 7.6
21 7.1 1.01039053444I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (7 Cplx.) RUN1 pKi= 7.6
22 7.4 2.21039055314FYO (41%) + 0VF_A_2
QMean=0.476 		P2: (3 Cplx.) RUN0 pKi= 7.5
23 6.2 2.01039049124FYO (41%) + 0VF_A_2
QMean=0.476 		P2: (5 Cplx.) RUN2 pKi= 7.5
24 6.1 2.01039049124JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (7 Cplx.) RUN1 pKi= 7.5
25 7.3 2.51039055314JQ7 (77%) + KJQ_A_2
QMean=0.498 		P1: (8 Cplx.) RUN1 pKi= 7.5
26 6.3 1.61039046003W2S (77%) + W2R_A_2
QMean=0.530 		P2: (3 Cplx.) RUN1 pKi= 7.5
27 7.5 2.11039055314FYO (41%) + 0VF_A_2
QMean=0.476 		P1: (6 Cplx.) RUN2 pKi= 7.5
28 7.1 1.61039046002R4B (78%) + GW7_A_3
QMean=0.548 		P2: (4 Cplx.) RUN2 pKi= 7.5
29 6.3 2.31039049133PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (5 Cplx.) RUN2 pKi= 7.4
30 8.9 2.01039045983IKA (77%) + 0UN_A_3
QMean=0.532 		P1: (3 Cplx.) RUN2 pKi= 7.4
31 8.8 2.11039053162RGP (78%) + HYZ_A_4
QMean=0.514 		P1: (3 Cplx.) RUN0 pKi= 7.3
32 9.1 2.11039053163BEL (78%) + POX_A_4
QMean=0.494 		P1: (3 Cplx.) RUN2 pKi= 7.3
33 6.8 1.91039046014FYO (41%) + 0VF_A_2
QMean=0.476 		P2: (3 Cplx.) RUN1 pKi= 7.2
34 6.7 1.81039046013FZR (39%) + 3JZ_A_2
QMean=0.478 		P2: (3 Cplx.) RUN2 pKi= 7.2
35 8.7 2.41039044174JRV (77%) + KJV_A_2
QMean=0.509 		P1: (3 Cplx.) RUN0 pKi= 7.1
36 9.0 1.81039044172RGP (78%) + HYZ_A_4
QMean=0.514 		P2: (3 Cplx.) RUN1 pKi= 7.1
37 8.7 2.11039044174JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (6 Cplx.) RUN2 pKi= 7.1
38 7.2 2.11039043094I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (3 Cplx.) RUN1 pKi= 6.9
39 7.5 2.31039044022RGP (78%) + HYZ_A_4
QMean=0.514 		P1: (4 Cplx.) RUN1 pKi= 6.9
40 6.4 1.81039044024JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (4 Cplx.) RUN2 pKi= 6.9
41 8.4 2.41039044023W33 (77%) + W19_A_2
QMean=0.524 		P1: (4 Cplx.) RUN0 pKi= 6.9
42 8.1 1.81039045913IKA (77%) + 0UN_A_3
QMean=0.532 		P1: (4 Cplx.) RUN0 pKi= 6.8
43 6.6 2.41039055434JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (3 Cplx.) RUN1 pKi= 6.8
44 6.8 1.31039045913BEL (78%) + POX_A_4
QMean=0.494 		P1: (5 Cplx.) RUN2 pKi= 6.8
45 7.9 1.81039045913IKA (77%) + 0UN_A_3
QMean=0.532 		P1: (5 Cplx.) RUN1 pKi= 6.8
46 6.6 1.61039055434I22 (77%) + IRE_A_2
QMean=0.519 		P1: (4 Cplx.) RUN2 pKi= 6.8
47 7.9 1.51039045924I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (7 Cplx.) RUN2 pKi= 6.7
48 7.9 1.41039045924I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (8 Cplx.) RUN1 pKi= 6.7
49 7.3 1.51039055322ITQ (77%) + STU_A_2
QMean=0.469 		P2: (5 Cplx.) RUN0 pKi= 6.6
50 7.3 2.41039045504G5J (77%) + 0WN_A_2
QMean=0.498 		P1: (3 Cplx.) RUN0 pKi= 6.6
51 6.8 0.91039045504JRV (77%) + KJV_A_2
QMean=0.509 		P1: (7 Cplx.) RUN1 pKi= 6.6
52 6.6 2.01039045502J6M (77%) + AEE_A_2
QMean=0.492 		P1: (7 Cplx.) RUN2 pKi= 6.6
53 6.4 2.11039046731XKK (78%) + FMM_A_4
QMean=0.506 		P1: (11 Cplx.) RUN1 pKi= 6.5
54 8.3 2.31039051723W32 (77%) + W32_A_2
QMean=0.543 		P1: (5 Cplx.) RUN1 pKi= 6.5
55 8.1 1.71039056493PP0 (99%) + 03Q_B_4
QMean=0.528 		P2: (4 Cplx.) RUN0 pKi= 6.5
56 8.5 2.51039051723W33 (77%) + W19_A_2
QMean=0.524 		P1: (4 Cplx.) RUN0 pKi= 6.5
57 8.2 2.21039051723W32 (77%) + W32_A_2
QMean=0.543 		P3: (3 Cplx.) RUN2 pKi= 6.5
58 8.2 0.91039056493PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (9 Cplx.) RUN2 pKi= 6.5
59 8.2 1.21039056493PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (7 Cplx.) RUN1 pKi= 6.5
60 7.7 0.51039046522R4B (78%) + GW7_A_3
QMean=0.548 		P1: (10 Cplx.) RUN2 pKi= 6.5
61 7.6 0.41039046522R4B (78%) + GW7_A_3
QMean=0.548 		P1: (10 Cplx.) RUN1 pKi= 6.5
62 6.3 2.31039046734I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (12 Cplx.) RUN2 pKi= 6.5
63 7.8 0.91039046522R4B (78%) + GW7_A_3
QMean=0.548 		P1: (8 Cplx.) RUN0 pKi= 6.5
64 7.2 2.11039048192R4B (78%) + GW7_A_3
QMean=0.548 		P1: (10 Cplx.) RUN0 pKi= 6.4
65 8.8 2.31039050623POZ (77%) + 03P_A_5
QMean=0.500 		P1: (10 Cplx.) RUN0 pKi= 6.4
66 7.6 1.81039051403POZ (77%) + 03P_A_5
QMean=0.500 		P1: (10 Cplx.) RUN1 pKi= 6.4
67 7.3 1.81039048193POZ (77%) + 03P_A_5
QMean=0.500 		P1: (15 Cplx.) RUN1 pKi= 6.4
68 5.8 1.71039053404HJO (78%) + AQ4_A_2
QMean=0.539 		P1: (4 Cplx.) RUN2 pKi= 6.4
69 8.0 2.21039053403W32 (77%) + W32_A_2
QMean=0.543 		P1: (4 Cplx.) RUN0 pKi= 6.4
70 8.3 1.81039050624I22 (77%) + IRE_A_2
QMean=0.519 		P1: (4 Cplx.) RUN2 pKi= 6.4
71 6.9 2.41039050623H3C (39%) + P1E_A_7
QMean=0.489 		P2: (3 Cplx.) RUN1 pKi= 6.4
72 7.6 1.51039051404JRV (77%) + KJV_A_2
QMean=0.509 		P1: (8 Cplx.) RUN0 pKi= 6.4
73 7.6 1.21039051404JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (12 Cplx.) RUN2 pKi= 6.4
74 7.8 1.41039053403BEL (78%) + POX_A_4
QMean=0.494 		P2: (5 Cplx.) RUN1 pKi= 6.4
75 7.1 1.91039048193POZ (77%) + 03P_A_5
QMean=0.500 		P1: (9 Cplx.) RUN2 pKi= 6.4
76 9.0 2.21039050633POZ (77%) + 03P_A_5
QMean=0.500 		P1: (11 Cplx.) RUN0 pKi= 6.3
77 8.8 2.31039050633POZ (77%) + 03P_A_5
QMean=0.500 		P1: (10 Cplx.) RUN2 pKi= 6.3
78 6.7 1.81039047834I22 (77%) + IRE_A_2
QMean=0.519 		P1: (15 Cplx.) RUN1 pKi= 6.2
79 6.9 1.81039047834I22 (77%) + IRE_A_2
QMean=0.519 		P1: (16 Cplx.) RUN0 pKi= 6.2
80 9.0 2.51039050614I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (6 Cplx.) RUN2 pKi= 6.2
81 6.0 2.11039053524I24 (77%) + 1C9_B_4
QMean=0.510 		P2: (3 Cplx.) RUN1 pKi= 6.2
82 6.8 1.81039047834I22 (77%) + IRE_A_2
QMean=0.519 		P1: (9 Cplx.) RUN2 pKi= 6.2
83 9.4 2.21039050613POZ (77%) + 03P_A_5
QMean=0.500 		P2: (5 Cplx.) RUN0 pKi= 6.2
84 6.7 2.01039050613FZR (39%) + 3JZ_A_2
QMean=0.478 		P2: (3 Cplx.) RUN1 pKi= 6.2
85 7.7 1.41039045964I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (4 Cplx.) RUN2 pKi= 6.1
86 6.0 1.41039045964I24 (77%) + 1C9_B_4
QMean=0.510 		P2: (3 Cplx.) RUN1 pKi= 6.1
87 5.9 1.71039045934I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (11 Cplx.) RUN1 pKi= 6.1
88 5.4 2.41039052654I22 (77%) + IRE_A_2
QMean=0.519 		P2: (3 Cplx.) RUN2 pKi= 6.1
89 7.7 2.41039050564I24 (77%) + 1C9_B_4
QMean=0.510 		P2: (4 Cplx.) RUN0 pKi= 6.1
90 7.7 2.31039050564I24 (77%) + 1C9_B_4
QMean=0.510 		P3: (4 Cplx.) RUN2 pKi= 6.1
91 7.3 2.11039050564FYO (41%) + 0VF_A_2
QMean=0.476 		P1: (5 Cplx.) RUN1 pKi= 6.1
92 6.3 1.61039045933H3C (39%) + P1E_A_7
QMean=0.489 		P4: (3 Cplx.) RUN2 pKi= 6.1
93 7.0 2.31039042164I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (4 Cplx.) RUN0 pKi= 6
94 7.8 2.21039050674JQ7 (77%) + KJQ_A_2
QMean=0.498 		P1: (3 Cplx.) RUN2 pKi= 6
95 6.9 1.61039042162R4B (78%) + GW7_A_3
QMean=0.548 		P1: (4 Cplx.) RUN1 pKi= 6
96 7.8 1.91039049622RGP (78%) + HYZ_A_4
QMean=0.514 		P1: (5 Cplx.) RUN2 pKi= 6
97 6.8 1.71039050944JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (8 Cplx.) RUN1 pKi= 6
98 8.6 2.31039054294I24 (77%) + 1C9_B_4
QMean=0.510 		P1: (5 Cplx.) RUN0 pKi= 6
99 9.5 2.21039047543POZ (77%) + 03P_A_5
QMean=0.500 		P1: (3 Cplx.) RUN0 pKi= 6
100 8.6 2.31039050642R4B (78%) + GW7_A_3
QMean=0.548 		P1: (8 Cplx.) RUN1 pKi= 6
101 9.6 2.21039047543POZ (77%) + 03P_A_5
QMean=0.500 		P1: (4 Cplx.) RUN2 pKi= 6
102 7.7 2.01039049463POZ (77%) + 03P_A_5
QMean=0.500 		P3: (3 Cplx.) RUN1 pKi= 6
103 8.3 2.41039050674G5J (77%) + 0WN_A_2
QMean=0.498 		P1: (5 Cplx.) RUN0 pKi= 6
104 8.1 2.31039049623FZT (39%) + 4JZ_A_2
QMean=0.487 		P1: (5 Cplx.) RUN1 pKi= 6
105 7.2 1.81039050944JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (8 Cplx.) RUN2 pKi= 6
106 8.3 2.51039050672J6M (77%) + AEE_A_2
QMean=0.492 		P1: (4 Cplx.) RUN1 pKi= 6
107 6.8 2.11039049464JQ8 (77%) + KJ8_A_2
QMean=0.494 		P3: (3 Cplx.) RUN2 pKi= 6
108 7.8 2.21039047544JRV (77%) + KJV_A_2
QMean=0.509 		P1: (4 Cplx.) RUN1 pKi= 6
109 7.9 2.31039054292R4B (78%) + GW7_A_3
QMean=0.548 		P1: (4 Cplx.) RUN1 pKi= 6
110 6.1 2.11039044492J6M (77%) + AEE_A_2
QMean=0.492 		P1: (5 Cplx.) RUN1 pKi= 6
111 9.0 2.01039054292R4B (78%) + GW7_A_3
QMean=0.548 		P1: (5 Cplx.) RUN2 pKi= 6
112 6.0 2.21039044492J6M (77%) + AEE_A_2
QMean=0.492 		P1: (7 Cplx.) RUN2 pKi= 6
113 6.1 2.21039044492J6M (77%) + AEE_A_2
QMean=0.492 		P1: (5 Cplx.) RUN0 pKi= 6
114 9.3 2.31039047113POZ (77%) + 03P_A_5
QMean=0.500 		P1: (6 Cplx.) RUN1 pKi= 5.9
115 7.4 1.11039047961XKK (78%) + FMM_A_4
QMean=0.506 		P2: (3 Cplx.) RUN2 pKi= 5.9
116 8.3 1.11039046034I22 (77%) + IRE_A_2
QMean=0.519 		P1: (5 Cplx.) RUN2 pKi= 5.9
117 7.7 2.41039047964JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (6 Cplx.) RUN0 pKi= 5.9
118 7.9 1.51039055624JQ8 (77%) + KJ8_A_2
QMean=0.494 		P1: (4 Cplx.) RUN1 pKi= 5.9
119 8.0 1.11039047963W33 (77%) + W19_A_2
QMean=0.524 		P3: (3 Cplx.) RUN1 pKi= 5.9
120 7.9 2.51039043284HJO (78%) + AQ4_A_2
QMean=0.539 		P3: (3 Cplx.) RUN0 pKi= 5.9
121 8.2 1.81039055624JRV (77%) + KJV_A_2
QMean=0.509 		P1: (4 Cplx.) RUN2 pKi= 5.9
122 7.4 2.21039043283BEL (78%) + POX_A_4
QMean=0.494 		P1: (4 Cplx.) RUN2 pKi= 5.9
123 8.4 1.71039055624JRV (77%) + KJV_A_2
QMean=0.509 		P1: (3 Cplx.) RUN0 pKi= 5.9
124 7.5 2.21039043143W33 (77%) + W19_A_2
QMean=0.524 		P1: (3 Cplx.) RUN2 pKi= 5.9
125 7.8 2.11039043284HJO (78%) + AQ4_A_2
QMean=0.539 		P1: (4 Cplx.) RUN1 pKi= 5.9
126 5.4 2.11039043102J6M (77%) + AEE_A_2
QMean=0.492 		P2: (3 Cplx.) RUN2 pKi= 5.9
127 8.1 2.41039047113PP0 (99%) + 03Q_B_4
QMean=0.528 		P1: (4 Cplx.) RUN2 pKi= 5.9
128 8.2 2.01039052503H3C (39%) + P1E_A_7
QMean=0.489 		P1: (5 Cplx.) RUN1 pKi= 5.8
129 6.3 2.31039045944FYO (41%) + 0VF_A_2
QMean=0.476 		P1: (8 Cplx.) RUN2 pKi= 5.8
130 7.9 1.61039052504JQ8 (77%) + KJ8_A_2
QMean=0.494 		P2: (3 Cplx.) RUN2 pKi= 5.8
131 6.4 2.51039045944FYO (41%) + 0VF_A_2
QMean=0.476 		P3: (3 Cplx.) RUN0 pKi= 5.8
132 5.7 0.91039045944I22 (77%) + IRE_A_2
QMean=0.519 		P3: (3 Cplx.) RUN1 pKi= 5.8
133 5.6 0.61039051232R4B (78%) + GW7_A_3
QMean=0.548 		P1: (11 Cplx.) RUN1 pKi= 5.3
134 5.2 0.61039051232R4B (78%) + GW7_A_3
QMean=0.548 		P1: (11 Cplx.) RUN2 pKi= 5.3
135 5.2 1.81039051234FYO (41%) + 0VF_A_2
QMean=0.476 		P2: (3 Cplx.) RUN0 pKi= 5.3

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.50



Action on selected entries :