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

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



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