Screening Results : Docking based on all models from entry : EGFR_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 FilterMeasure
1 7.7 0.31039046522R4B (80%) + GW7_A_3
QMean=0.520
P1: (10 Cplx.) RUN1 DOpKi= 7
2 7.7 0.31039046521XKK (100%) + FMM_A_4
QMean=0.448
P1: (10 Cplx.) RUN2 DOpKi= 7
3 5.5 0.4103905123U162 (100%) + xxx_A_2
QMean=0.457
P1: (6 Cplx.) RUN0 DOpKi= 7.1
4 8.0 0.41039046522R4B (80%) + GW7_B_4
QMean=0.516
P1: (7 Cplx.) RUN0 DOpKi= 7
5 5.2 0.51039051232R4B (80%) + GW7_A_3
QMean=0.520
P1: (8 Cplx.) RUN2 DOpKi= 7.1
6 5.2 0.6103904646U162 (100%) + xxx_A_2
QMean=0.457
P2: (4 Cplx.) RUN0 DOpKi= 7.3
7 7.6 0.71039051403LZB (99%) + ITI_B_10
QMean=0.501
P3: (3 Cplx.) RUN0 DOpKi= 7.7
8 5.8 0.71039046462R4B (80%) + GW7_A_3
QMean=0.520
P1: (12 Cplx.) RUN1 DOpKi= 7.3
9 5.4 0.7103905168U162 (100%) + xxx_A_2
QMean=0.457
P1: (11 Cplx.) RUN0 DOpKi= 6.5
10 6.6 0.8103904214U160 (100%) + xxx_A_2
QMean=0.489
P1: (16 Cplx.) RUN0 DOpKi= 5.8
11 5.6 0.81039050852R4B (80%) + GW7_A_3
QMean=0.520
P1: (16 Cplx.) RUN1 DOpKi= 6.5
12 6.6 0.81039052154I24 (99%) + 1C9_A_3
QMean=0.490
P1: (5 Cplx.) RUN1 DOpKi= 6.4
13 5.6 0.81039051683PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (15 Cplx.) RUN1 DOpKi= 6.5
14 10.4 0.81039055663PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (8 Cplx.) RUN2 DOpKi= 8.2
15 5.4 0.91039050852R4B (80%) + GW7_A_3
QMean=0.520
P1: (15 Cplx.) RUN2 DOpKi= 6.5
16 6.3 0.94LQM_DJK4I24 (99%) + 1C9_B_4
QMean=0.462
P1: (12 Cplx.) VALID2 DO-= -
17 7.1 0.91039050244JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (5 Cplx.) RUN1 DOpKi= 6.7
18 6.8 0.91039045504JRV (100%) + KJV_A_2
QMean=0.473
P1: (7 Cplx.) RUN1 DOpKi= 7.4
19 6.3 1.01039052591XKK (100%) + FMM_A_4
QMean=0.448
P2: (4 Cplx.) RUN2 DOpKi= 6.4
20 6.3 1.01039052591XKK (100%) + FMM_A_4
QMean=0.448
P1: (5 Cplx.) RUN1 DOpKi= 6.4
21 6.2 1.01039051803LZB (99%) + ITI_B_10
QMean=0.501
P1: (19 Cplx.) RUN0 DOpKi= 6.9
22 5.4 1.01039051683PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (14 Cplx.) RUN2 DOpKi= 6.5
23 7.7 1.01039052152R4B (80%) + GW7_A_3
QMean=0.520
P1: (5 Cplx.) RUN2 ODpKi= 6.4
24 9.5 1.01039055663PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (7 Cplx.) RUN1 DOpKi= 8.2
25 7.6 1.11039051404JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (10 Cplx.) RUN2 DOpKi= 7.7
26 9.7 1.11039049913W33 (100%) + W19_A_2
QMean=0.487
P2: (3 Cplx.) RUN2 DOpKi= 7.5
27 7.9 1.11039047794JRV (100%) + KJV_A_2
QMean=0.473
P3: (4 Cplx.) RUN1 ODpKi= 5.8
28 6.4 1.11039042014JRV (100%) + KJV_A_2
QMean=0.473
P2: (5 Cplx.) RUN1 DOpKi= 6.2
29 7.8 1.11039051404JRV (100%) + KJV_A_2
QMean=0.473
P1: (13 Cplx.) RUN1 DOpKi= 7.7
30 7.1 1.11039041941XKK (100%) + FMM_A_4
QMean=0.448
P1: (6 Cplx.) RUN2 DOpKi= 6
31 6.2 1.1103905540U154 (100%) + xxx_A_2
QMean=0.474
P2: (4 Cplx.) RUN0 DOpKi= 7.6
32 6.1 1.24LL0_YUNU163 (100%) + xxx_A_2
QMean=0.489
P1: (9 Cplx.) VALID2 DO-= -
33 5.4 1.21039046463W2S (100%) + W2R_A_2
QMean=0.482
P1: (11 Cplx.) RUN2 DOpKi= 7.3
34 9.9 1.21039047841XKK (100%) + FMM_A_4
QMean=0.448
P1: (6 Cplx.) RUN2 DOpKi= 6.7
35 6.2 1.21039042014JRV (100%) + KJV_A_2
QMean=0.473
P2: (5 Cplx.) RUN2 DOpKi= 6.2
36 7.1 1.21039055322ITQ (99%) + STU_A_2
QMean=0.421
P2: (3 Cplx.) RUN0 DOpKi= 7.7
37 7.2 1.21039046004I24 (99%) + 1C9_A_3
QMean=0.490
P2: (4 Cplx.) RUN2 DOpKi= 7.2
38 9.9 1.21039055661XKK (100%) + FMM_A_4
QMean=0.448
P1: (3 Cplx.) RUN0 DOpKi= 8.2
39 9.0 1.21039047792R4B (80%) + GW7_A_3
QMean=0.520
P1: (6 Cplx.) RUN2 DOpKi= 5.8
40 6.0 1.31039042113POZ (100%) + 03P_A_5
QMean=0.479
P3: (3 Cplx.) RUN0 DOpKi= 6
41 7.8 1.31039052511XKK (100%) + FMM_A_4
QMean=0.448
P1: (7 Cplx.) RUN1 DOpKi= 5.9
42 6.9 1.31039042113BEL (100%) + POX_A_4
QMean=0.459
P1: (7 Cplx.) RUN1 DOpKi= 6
43 6.8 1.31039055773LZB (99%) + ITI_D_12
QMean=0.480
P2: (3 Cplx.) RUN1 DOpKi= 5.9
44 5.9 1.31039055402RGP (100%) + HYZ_A_4
QMean=0.507
P2: (4 Cplx.) RUN2 DOpKi= 7.6
45 6.3 1.31039048194JRV (100%) + KJV_A_2
QMean=0.473
P2: (7 Cplx.) RUN1 DOpKi= 6.6
46 6.0 1.41039050844I24 (99%) + 1C9_B_4
QMean=0.462
P1: (11 Cplx.) RUN0 DOpKi= 6.8
47 6.7 1.44WKQ_IRE4I22 (99%) + IRE_A_2
QMean=0.468
P1: (4 Cplx.) VALID0 DO-= -
48 6.7 1.44LL0_YUN4I24 (99%) + 1C9_B_4
QMean=0.462
P1: (8 Cplx.) VALID0 DO-= -
49 7.3 1.41039046034I24 (99%) + 1C9_A_3
QMean=0.490
P1: (3 Cplx.) RUN1 DOpKi= 6.2
50 8.0 1.41039049612RGP (100%) + HYZ_A_4
QMean=0.507
P1: (6 Cplx.) RUN2 DOpKi= 6.8
51 7.2 1.41039042134I24 (99%) + 1C9_A_3
QMean=0.490
P1: (8 Cplx.) RUN2 DOpKi= 5.7
52 6.9 1.41039042134I24 (99%) + 1C9_A_3
QMean=0.490
P1: (7 Cplx.) RUN1 DOpKi= 5.7
53 6.9 1.41039042144I24 (99%) + 1C9_A_3
QMean=0.490
P2: (8 Cplx.) RUN1 DOpKi= 5.8
54 9.9 1.41039047853PP0 (78%) + 03Q_B_4
QMean=0.457
P2: (3 Cplx.) RUN2 DOpKi= 6.3
55 5.9 1.41039050844I24 (99%) + 1C9_A_3
QMean=0.490
P1: (16 Cplx.) RUN2 DOpKi= 6.8
56 5.7 1.41039051234FYO (42%) + 0VF_A_2
QMean=0.445
P1: (8 Cplx.) RUN1 DOpKi= 7.1
57 8.5 1.41039049913W32 (100%) + W32_A_2
QMean=0.498
P1: (10 Cplx.) RUN1 DOpKi= 7.5
58 7.3 1.41039054454JQ7 (100%) + KJQ_A_2
QMean=0.485
P1: (4 Cplx.) RUN2 DOpKi= 5.8
59 7.5 1.41039045964I24 (99%) + 1C9_A_3
QMean=0.490
P1: (3 Cplx.) RUN2 DOpKi= 6.4
60 7.6 1.4103904600U158 (100%) + xxx_A_2
QMean=0.489
P2: (3 Cplx.) RUN0 DOpKi= 7.2
61 5.9 1.51039050844I24 (99%) + 1C9_A_3
QMean=0.490
P1: (14 Cplx.) RUN1 DOpKi= 6.8
62 6.6 1.51039042142R4B (80%) + GW7_A_3
QMean=0.520
P1: (15 Cplx.) RUN2 DOpKi= 5.8
63 9.9 1.51039044202RGP (100%) + HYZ_A_4
QMean=0.507
P1: (4 Cplx.) RUN2 DOpKi= 8.4
64 9.6 1.5103904991U156 (100%) + xxx_A_2
QMean=0.468
P1: (7 Cplx.) RUN0 DOpKi= 7.5
65 6.3 1.51039046383IKA (99%) + 0UN_A_3
QMean=0.462
P2: (3 Cplx.) RUN2 DOpKi= 6.6
66 7.1 1.51039050684JQ7 (100%) + KJQ_A_2
QMean=0.485
P2: (3 Cplx.) RUN1 DOpKi= 6.1
67 7.4 1.51039054454JRV (100%) + KJV_A_2
QMean=0.473
P3: (3 Cplx.) RUN1 DOpKi= 5.8
68 6.7 1.51039044033LZB (99%) + ITI_C_11
QMean=0.503
P1: (6 Cplx.) RUN0 DOpKi= 6
69 7.9 1.51039049611XKK (100%) + FMM_A_4
QMean=0.448
P1: (8 Cplx.) RUN1 DOpKi= 6.8
70 6.2 1.51039045944I24 (99%) + 1C9_A_3
QMean=0.490
P1: (4 Cplx.) RUN1 DOpKi= 6.7
71 8.1 1.51039043214JRV (100%) + KJV_A_2
QMean=0.473
P1: (8 Cplx.) RUN2 DOpKi= 6.5
72 7.4 1.51039054444JRV (100%) + KJV_A_2
QMean=0.473
P1: (5 Cplx.) RUN1 DOpKi= 5.8
73 8.1 1.51039041964I24 (99%) + 1C9_A_3
QMean=0.490
P1: (10 Cplx.) RUN2 DOpKi= 6.6
74 7.9 1.51039041964I24 (99%) + 1C9_A_3
QMean=0.490
P1: (12 Cplx.) RUN1 DOpKi= 6.6
75 6.1 1.51039042114G5J (100%) + 0WN_A_2
QMean=0.472
P1: (11 Cplx.) RUN2 DOpKi= 6
76 9.7 1.51039047853POZ (100%) + 03P_A_5
QMean=0.479
P1: (5 Cplx.) RUN0 DOpKi= 6.3
77 6.6 1.61039055934JRV (100%) + KJV_A_2
QMean=0.473
P2: (5 Cplx.) RUN2 DOpKi= 6.7
78 6.8 1.61039041923POZ (100%) + 03P_A_5
QMean=0.479
P3: (3 Cplx.) RUN2 ODpKi= 6.7
79 7.0 1.61039045963IKA (99%) + 0UN_A_3
QMean=0.462
P2: (3 Cplx.) RUN1 DOpKi= 6.4
80 8.2 1.61039055624JRV (100%) + KJV_A_2
QMean=0.473
P2: (3 Cplx.) RUN2 DOpKi= 6.2
81 7.0 1.61039042042R4B (80%) + GW7_A_3
QMean=0.520
P1: (8 Cplx.) RUN1 ODpKi= 6.1
82 8.1 1.61039047873LZB (99%) + ITI_D_12
QMean=0.480
P2: (3 Cplx.) RUN1 DOpKi= 6.1
83 7.9 1.61039047883W32 (100%) + W32_A_2
QMean=0.498
P2: (3 Cplx.) RUN2 DOpKi= 6.1
84 6.4 1.61039055403PP0 (78%) + 03Q_B_4
QMean=0.457
P3: (4 Cplx.) RUN1 DOpKi= 7.6
85 4.7 1.61039044034I22 (99%) + IRE_A_2
QMean=0.468
P4: (3 Cplx.) RUN1 DOpKi= 6
86 7.8 1.6103904194U160 (100%) + xxx_A_2
QMean=0.489
P1: (12 Cplx.) RUN0 DOpKi= 6
87 8.5 1.61039046034I24 (99%) + 1C9_A_3
QMean=0.490
P1: (5 Cplx.) RUN2 DOpKi= 6.2
88 7.3 1.64RJ5_3QYU158 (100%) + xxx_A_2
QMean=0.489
P1: (6 Cplx.) VALID2 DO-= -
89 6.7 1.61039047834JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (14 Cplx.) RUN1 DOpKi= 6.7
90 7.3 1.61039041951XKK (100%) + FMM_A_4
QMean=0.448
P1: (8 Cplx.) RUN1 DOpKi= 6.4
91 7.4 1.61039055624JRV (100%) + KJV_A_2
QMean=0.473
P1: (6 Cplx.) RUN1 DOpKi= 6.2
92 6.7 1.61039046044I24 (99%) + 1C9_A_3
QMean=0.490
P1: (7 Cplx.) RUN2 DOpKi= 6.4
93 6.9 1.61039042162R4B (80%) + GW7_A_3
QMean=0.520
P1: (3 Cplx.) RUN1 ODpKi= 6.2
94 8.3 1.6103904196U160 (100%) + xxx_A_2
QMean=0.489
P2: (8 Cplx.) RUN0 DOpKi= 6.6
95 7.7 1.61039045914JQ7 (100%) + KJQ_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 ODpKi= 7.1
96 6.0 1.61039045934I24 (99%) + 1C9_A_3
QMean=0.490
P3: (4 Cplx.) RUN1 DOpKi= 6.5
97 7.9 1.61039050244I24 (99%) + 1C9_A_3
QMean=0.490
P1: (7 Cplx.) RUN2 ODpKi= 6.7
98 6.8 1.61039047834I22 (99%) + IRE_A_2
QMean=0.468
P1: (13 Cplx.) RUN2 DOpKi= 6.7
99 7.4 1.61039041953PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (10 Cplx.) RUN2 DOpKi= 6.4
100 6.6 1.61039042044I24 (99%) + 1C9_A_3
QMean=0.490
P2: (3 Cplx.) RUN2 ODpKi= 6.1
101 5.7 1.61039054241M17 (100%) + AQ4_A_2
QMean=0.462
P1: (6 Cplx.) RUN1 DOpKi= 7.3
102 6.5 1.61039056083IKA (99%) + 0UN_A_3
QMean=0.462
P2: (3 Cplx.) RUN2 DOpKi= 6.4
103 7.1 1.74LQM_DJK4I24 (99%) + 1C9_B_4
QMean=0.462
P1: (12 Cplx.) VALID0 DO-= -
104 9.3 1.7103904779U165 (100%) + xxx_A_2
QMean=0.508
P2: (3 Cplx.) RUN0 DOpKi= 5.8
105 7.3 1.71039056274JR3 (100%) + KJR_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 DOpKi= 5.8
106 5.7 1.71039046041M17 (100%) + AQ4_A_2
QMean=0.462
P2: (4 Cplx.) RUN1 DOpKi= 6.4
107 6.3 1.71039042014JRV (100%) + KJV_A_2
QMean=0.473
P3: (4 Cplx.) RUN0 DOpKi= 6.2
108 9.6 1.71039053452R4B (80%) + GW7_A_3
QMean=0.520
P2: (3 Cplx.) RUN2 DOpKi= 6.3
109 8.1 1.71039052503IKA (99%) + 0UN_A_3
QMean=0.462
P3: (3 Cplx.) RUN1 DOpKi= 6.4
110 7.9 1.74RJ6_3R0U160 (100%) + xxx_A_2
QMean=0.489
P2: (4 Cplx.) VALID2 OD-= -
111 7.6 1.71039056481XKK (100%) + FMM_A_4
QMean=0.448
P1: (6 Cplx.) RUN2 DOpKi= 5.8
112 7.5 1.71039041921XKK (100%) + FMM_A_4
QMean=0.448
P1: (10 Cplx.) RUN1 DOpKi= 6.7
113 7.2 1.71039054444JQ7 (100%) + KJQ_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 DOpKi= 5.8
114 9.4 1.71039047843W2S (100%) + W2R_A_2
QMean=0.482
P1: (4 Cplx.) RUN0 DOpKi= 6.7
115 6.7 1.71039055933LZB (99%) + ITI_B_10
QMean=0.501
P1: (5 Cplx.) RUN0 DOpKi= 6.7
116 7.6 1.71039056484I24 (99%) + 1C9_A_3
QMean=0.490
P2: (3 Cplx.) RUN1 DOpKi= 5.8
117 7.5 1.74RJ4_3QWU166 (100%) + xxx_A_2
QMean=0.462
P3: (4 Cplx.) VALID2 DO-= -
118 6.6 1.71039054824JRV (100%) + KJV_A_2
QMean=0.473
P2: (5 Cplx.) RUN1 DOpKi= 5.8
119 9.1 1.81039047543LZB (99%) + ITI_D_12
QMean=0.480
P1: (4 Cplx.) RUN2 DOpKi= 6.6
120 7.0 1.81039056074I24 (99%) + 1C9_A_3
QMean=0.490
P1: (8 Cplx.) RUN1 DOpKi= 5.8
121 8.6 1.8103905067U153 (100%) + xxx_A_2
QMean=0.480
P3: (3 Cplx.) RUN0 DOpKi= 5.9
122 6.5 1.81039050554JRV (100%) + KJV_A_2
QMean=0.473
P1: (7 Cplx.) RUN2 DOpKi= 6.4
123 5.0 1.81039049583POZ (100%) + 03P_A_5
QMean=0.479
P3: (3 Cplx.) RUN2 DOpKi= 6.5
124 6.4 1.81039044024JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (3 Cplx.) RUN2 ODpKi= 7.1
125 5.8 1.81039051804I24 (99%) + 1C9_A_3
QMean=0.490
P1: (12 Cplx.) RUN2 ODpKi= 6.9
126 7.1 1.8103904783U173 (100%) + xxx_A_2
QMean=0.489
P1: (11 Cplx.) RUN0 DOpKi= 6.7
127 8.3 1.81039047961XKK (100%) + FMM_A_4
QMean=0.448
P2: (4 Cplx.) RUN2 DOpKi= 6.7
128 8.3 1.8103904961U159 (100%) + xxx_A_2
QMean=0.489
P1: (6 Cplx.) RUN0 DOpKi= 6.8
129 5.9 1.81039049124JQ7 (100%) + KJQ_A_2
QMean=0.485
P1: (8 Cplx.) RUN1 DOpKi= 6.3
130 7.4 1.81039056082ITT (99%) + AEE_A_2
QMean=0.438
P1: (5 Cplx.) RUN0 DOpKi= 6.4
131 7.7 1.81039055933POZ (100%) + 03P_A_5
QMean=0.479
P1: (7 Cplx.) RUN1 DOpKi= 6.7
132 5.6 1.81039042924FYO (42%) + 0VF_A_2
QMean=0.445
P1: (3 Cplx.) RUN1 DOpKi= 5.9
133 8.3 1.8103905215U149 (100%) + xxx_A_2
QMean=0.508
P1: (6 Cplx.) RUN0 DOpKi= 6.4
134 8.1 1.81039047963POZ (100%) + 03P_A_5
QMean=0.479
P1: (6 Cplx.) RUN1 DOpKi= 6.7
135 6.7 1.81039050944I22 (99%) + IRE_A_2
QMean=0.468
P1: (9 Cplx.) RUN1 DOpKi= 6.6
136 7.1 1.81039048193POZ (100%) + 03P_A_5
QMean=0.479
P1: (15 Cplx.) RUN2 DOpKi= 6.6
137 8.4 1.91039054883BEL (100%) + POX_A_4
QMean=0.459
P1: (4 Cplx.) RUN2 DOpKi= 7.1
138 7.7 1.91039047544JR3 (100%) + KJR_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 DOpKi= 6.6
139 7.6 1.91039041944I24 (99%) + 1C9_A_3
QMean=0.490
P2: (5 Cplx.) RUN1 DOpKi= 6
140 9.2 1.91039053163BEL (100%) + POX_A_4
QMean=0.459
P1: (5 Cplx.) RUN2 DOpKi= 7.6
141 7.4 1.91039050244JRV (100%) + KJV_A_2
QMean=0.473
P1: (8 Cplx.) RUN0 DOpKi= 6.7
142 8.4 1.9103905562U154 (100%) + xxx_A_2
QMean=0.474
P1: (7 Cplx.) RUN0 DOpKi= 6.2
143 8.4 1.91039047523PP0 (78%) + 03Q_B_4
QMean=0.457
P2: (3 Cplx.) RUN2 DOpKi= 5.8
144 6.8 1.91039048283BEL (100%) + POX_A_4
QMean=0.459
P2: (3 Cplx.) RUN2 DOpKi= 6.7
145 6.0 1.91039054242R4B (80%) + GW7_A_3
QMean=0.520
P1: (4 Cplx.) RUN2 DOpKi= 7.3
146 6.6 1.9103904204U159 (100%) + xxx_A_2
QMean=0.489
P3: (3 Cplx.) RUN0 ODpKi= 6.1
147 6.2 1.91039056414JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (15 Cplx.) RUN1 DOpKi= 6.5
148 7.2 1.91039050564I24 (99%) + 1C9_A_3
QMean=0.490
P1: (6 Cplx.) RUN1 DOpKi= 5.9
149 5.8 1.91039051804I24 (99%) + 1C9_A_3
QMean=0.490
P1: (7 Cplx.) RUN1 DOpKi= 6.9
150 6.4 1.91039050554JRV (100%) + KJV_A_2
QMean=0.473
P2: (6 Cplx.) RUN1 DOpKi= 6.4
151 6.7 1.94WKQ_IREU170 (100%) + xxx_A_2
QMean=0.489
P1: (9 Cplx.) VALID2 DO-= -
152 8.0 1.91039042133LZB (99%) + ITI_C_11
QMean=0.503
P1: (8 Cplx.) RUN0 DOpKi= 5.7
153 6.6 1.94RJ8_3QSU160 (100%) + xxx_A_2
QMean=0.489
P2: (4 Cplx.) VALID2 DO-= -
154 4.6 1.91039052094FYO (42%) + 0VF_A_2
QMean=0.445
P3: (3 Cplx.) RUN2 DOpKi= 6.7
155 8.4 1.91039047523POZ (100%) + 03P_A_5
QMean=0.479
P1: (6 Cplx.) RUN1 DOpKi= 5.8
156 7.5 2.04RJ5_3QY4FYO (42%) + 0VF_A_2
QMean=0.445
P2: (6 Cplx.) VALID0 OD-= -
157 6.8 2.0103904912U165 (100%) + xxx_A_2
QMean=0.508
P1: (7 Cplx.) RUN0 DOpKi= 6.3
158 6.9 2.01039050564I22 (99%) + IRE_A_2
QMean=0.468
P2: (4 Cplx.) RUN2 DOpKi= 5.9
159 8.5 2.0103905069U153 (100%) + xxx_A_2
QMean=0.480
P1: (10 Cplx.) RUN0 DOpKi= 6.1
160 8.8 2.01039044174JRV (100%) + KJV_A_2
QMean=0.473
P1: (3 Cplx.) RUN2 DOpKi= 7.5
161 8.7 2.01039047963LZB (99%) + ITI_C_11
QMean=0.503
P2: (3 Cplx.) RUN0 DOpKi= 6.7
162 7.2 2.01039055314JR3 (100%) + KJR_A_2
QMean=0.479
P1: (10 Cplx.) RUN1 DOpKi= 7.6
163 7.3 2.01039054964I22 (99%) + IRE_A_2
QMean=0.468
P3: (3 Cplx.) RUN1 DOpKi= 6.6
164 7.6 2.01039043143LZB (99%) + ITI_D_12
QMean=0.480
P2: (3 Cplx.) RUN2 DOpKi= 6.5
165 7.8 2.01039043133W33 (100%) + W19_A_2
QMean=0.487
P1: (4 Cplx.) RUN2 DOpKi= 6.1
166 6.9 2.01039044513LZB (99%) + ITI_D_12
QMean=0.480
P1: (3 Cplx.) RUN1 DOpKi= 6.4
167 10.0 2.0103905345U149 (100%) + xxx_A_2
QMean=0.508
P1: (3 Cplx.) RUN0 DOpKi= 6.3
168 7.7 2.01039054964I24 (99%) + 1C9_A_3
QMean=0.490
P1: (3 Cplx.) RUN2 DOpKi= 6.6
169 7.8 2.01039043553LZB (99%) + ITI_D_12
QMean=0.480
P1: (3 Cplx.) RUN2 DOpKi= 6.4
170 9.3 2.01039047843PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (5 Cplx.) RUN1 DOpKi= 6.7
171 7.5 2.0103904819U173 (100%) + xxx_A_2
QMean=0.489
P1: (14 Cplx.) RUN0 DOpKi= 6.6
172 7.2 2.0103904195U160 (100%) + xxx_A_2
QMean=0.489
P2: (4 Cplx.) RUN0 DOpKi= 6.4
173 6.4 2.1103905259U154 (100%) + xxx_A_2
QMean=0.474
P2: (4 Cplx.) RUN0 DOpKi= 6.4
174 9.5 2.11039047853PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (8 Cplx.) RUN1 DOpKi= 6.3
175 7.2 2.11039043103LZB (99%) + ITI_D_12
QMean=0.480
P2: (3 Cplx.) RUN1 DOpKi= 5.8
176 7.3 2.11039043093LZB (99%) + ITI_D_12
QMean=0.480
P1: (4 Cplx.) RUN1 DOpKi= 5.9
177 6.9 2.11039041894I24 (99%) + 1C9_A_3
QMean=0.490
P3: (3 Cplx.) RUN1 ODpKi= 6.1
178 7.7 2.11039046384I24 (99%) + 1C9_B_4
QMean=0.462
P1: (3 Cplx.) RUN0 DOpKi= 6.6
179 8.5 2.11039044114JRV (100%) + KJV_A_2
QMean=0.473
P1: (4 Cplx.) RUN1 DOpKi= 7.8
180 7.9 2.11039048281XKK (100%) + FMM_A_4
QMean=0.448
P1: (3 Cplx.) RUN1 DOpKi= 6.7
181 6.4 2.11039044033BEL (100%) + POX_A_4
QMean=0.459
P2: (5 Cplx.) RUN2 DOpKi= 6
182 7.2 2.11039044204JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (4 Cplx.) RUN1 DOpKi= 8.4
183 6.1 2.1103905424U159 (100%) + xxx_A_2
QMean=0.489
P1: (8 Cplx.) RUN0 DOpKi= 7.3
184 8.5 2.11039050694JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (9 Cplx.) RUN2 DOpKi= 6.1
185 6.9 2.14RJ8_3QS4I22 (99%) + IRE_A_2
QMean=0.468
P1: (4 Cplx.) VALID0 DO-= -
186 5.9 2.11039050854FYO (42%) + 0VF_A_2
QMean=0.445
P1: (13 Cplx.) RUN0 DOpKi= 6.5
187 5.5 2.11039046004I24 (99%) + 1C9_A_3
QMean=0.490
P1: (4 Cplx.) RUN1 DOpKi= 7.2
188 8.4 2.11039052514JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (6 Cplx.) RUN2 DOpKi= 5.9
189 8.8 2.11039053453W33 (100%) + W19_A_2
QMean=0.487
P1: (3 Cplx.) RUN1 DOpKi= 6.3
190 7.5 2.11039055314FYO (42%) + 0VF_A_2
QMean=0.445
P1: (5 Cplx.) RUN2 DOpKi= 7.6
191 8.5 2.11039047251XKK (100%) + FMM_A_4
QMean=0.448
P1: (3 Cplx.) RUN2 DOpKi= 5.9
192 9.0 2.11039054883PP0 (78%) + 03Q_A_3
QMean=0.500
P2: (4 Cplx.) RUN0 DOpKi= 7.1
193 7.7 2.11039050674JQ7 (100%) + KJQ_A_2
QMean=0.485
P1: (5 Cplx.) RUN1 DOpKi= 5.9
194 7.2 2.11039043094I22 (99%) + IRE_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 DOpKi= 5.9
195 6.5 2.14LI5_1WYU158 (100%) + xxx_A_2
QMean=0.489
P3: (3 Cplx.) VALID2 DO-= -
196 6.5 2.11039050553BEL (100%) + POX_A_4
QMean=0.459
P1: (8 Cplx.) RUN0 DOpKi= 6.4
197 6.8 2.11039046383W33 (100%) + W19_A_2
QMean=0.487
P1: (3 Cplx.) RUN1 DOpKi= 6.6
198 5.7 2.11039056082RGP (100%) + HYZ_A_4
QMean=0.507
P1: (9 Cplx.) RUN1 DOpKi= 6.4
199 6.6 2.21039045944JQ8 (100%) + KJ8_A_2
QMean=0.471
P1: (6 Cplx.) RUN2 DOpKi= 6.7
200 6.5 2.21039054882R4B (80%) + GW7_A_3
QMean=0.520
P1: (3 Cplx.) RUN1 DOpKi= 7.1
201 6.5 2.21039050943PP0 (78%) + 03Q_B_4
QMean=0.457
P2: (6 Cplx.) RUN2 DOpKi= 6.6
202 7.1 2.2103905094U153 (100%) + xxx_A_2
QMean=0.480
P1: (6 Cplx.) RUN0 DOpKi= 6.6
203 8.0 2.21039042724I24 (99%) + 1C9_A_3
QMean=0.490
P3: (3 Cplx.) RUN2 DOpKi= 6.3
204 7.7 2.21039050674JQ7 (100%) + KJQ_A_2
QMean=0.485
P1: (4 Cplx.) RUN2 DOpKi= 5.9
205 5.3 2.21039043084JRV (100%) + KJV_A_2
QMean=0.473
P2: (3 Cplx.) RUN1 DOpKi= 6.3
206 7.3 2.2103905482U164 (100%) + xxx_A_2
QMean=0.489
P1: (9 Cplx.) RUN0 DOpKi= 5.8
207 9.9 2.2103904754U159 (100%) + xxx_A_2
QMean=0.489
P1: (6 Cplx.) RUN0 ODpKi= 6.6
208 9.3 2.2103905068U165 (100%) + xxx_A_2
QMean=0.508
P1: (10 Cplx.) RUN0 DOpKi= 6.1
209 7.4 2.21039044024JRV (100%) + KJV_A_2
QMean=0.473
P1: (4 Cplx.) RUN1 DOpKi= 7.1
210 8.9 2.21039050614I24 (99%) + 1C9_A_3
QMean=0.490
P1: (5 Cplx.) RUN2 DOpKi= 7.2
211 8.5 2.21039050683POZ (100%) + 03P_A_5
QMean=0.479
P1: (11 Cplx.) RUN2 DOpKi= 6.1
212 8.1 2.21039045914AOJ (34%) + V4Z_A_4
QMean=0.472
P3: (3 Cplx.) RUN0 ODpKi= 7.1
213 9.3 2.21039047111XKK (100%) + FMM_A_4
QMean=0.448
P1: (6 Cplx.) RUN1 DOpKi= 6.3
214 6.4 2.24RIW_ANP3GT8 (99%) + ANP_C_10
QMean=0.465
P1: (3 Cplx.) VALID2 OD-= -
215 7.2 2.21039043103W33 (100%) + W19_A_2
QMean=0.487
P1: (5 Cplx.) RUN2 DOpKi= 5.8
216 7.9 2.21039045964I24 (99%) + 1C9_B_4
QMean=0.462
P3: (3 Cplx.) RUN0 DOpKi= 6.4
217 6.3 2.21039055324FYO (42%) + 0VF_A_2
QMean=0.445
P1: (9 Cplx.) RUN1 DOpKi= 7.7
218 8.4 2.2103905251U158 (100%) + xxx_A_2
QMean=0.489
P1: (6 Cplx.) RUN0 DOpKi= 5.9
219 7.9 2.2103904314U172 (100%) + xxx_A_2
QMean=0.489
P1: (10 Cplx.) RUN0 DOpKi= 6.5
220 6.7 2.24RIW_ADP3POZ (100%) + 03P_A_5
QMean=0.479
P1: (4 Cplx.) VALID2 DO-= -
221 6.5 2.21039046734I24 (99%) + 1C9_A_3
QMean=0.490
P1: (13 Cplx.) RUN2 DOpKi= 6.6
222 8.5 2.21039052503PP0 (78%) + 03Q_B_4
QMean=0.457
P2: (3 Cplx.) RUN2 DOpKi= 6.4
223 7.7 2.2103904309U172 (100%) + xxx_A_2
QMean=0.489
P2: (5 Cplx.) RUN0 DOpKi= 5.9
224 8.6 2.21039052503PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (7 Cplx.) RUN0 DOpKi= 6.4
225 9.6 2.3103905061U157 (100%) + xxx_A_2
QMean=0.474
P2: (5 Cplx.) RUN0 DOpKi= 7.2
226 6.2 2.3103904965U153 (100%) + xxx_A_2
QMean=0.480
P2: (6 Cplx.) RUN0 DOpKi= 6.2
227 8.2 2.3103904712U170 (100%) + xxx_A_2
QMean=0.489
P2: (4 Cplx.) RUN0 DOpKi= 6.1
228 7.8 2.31039042723POZ (100%) + 03P_A_5
QMean=0.479
P1: (3 Cplx.) RUN1 DOpKi= 6.3
229 8.2 2.3103904308U173 (100%) + xxx_A_2
QMean=0.489
P2: (7 Cplx.) RUN0 DOpKi= 6.3
230 6.6 2.31039055774I22 (99%) + IRE_A_2
QMean=0.468
P2: (3 Cplx.) RUN2 DOpKi= 5.9
231 8.4 2.3103905496U149 (100%) + xxx_A_2
QMean=0.508
P1: (5 Cplx.) RUN0 DOpKi= 6.6
232 6.2 2.31039049124I24 (99%) + 1C9_A_3
QMean=0.490
P3: (3 Cplx.) RUN2 DOpKi= 6.3
233 6.8 2.31039047124FYO (42%) + 0VF_A_2
QMean=0.445
P3: (4 Cplx.) RUN1 DOpKi= 6.1
234 6.0 2.31039049654JQ8 (100%) + KJ8_A_2
QMean=0.471
P2: (4 Cplx.) RUN2 DOpKi= 6.2
235 7.5 2.3103904349U172 (100%) + xxx_A_2
QMean=0.489
P2: (4 Cplx.) RUN0 DOpKi= 6.3
236 7.0 2.31039055324JR3 (100%) + KJR_A_2
QMean=0.479
P1: (6 Cplx.) RUN2 DOpKi= 7.7
237 6.3 2.31039041931XKK (100%) + FMM_A_4
QMean=0.448
P1: (4 Cplx.) RUN2 DOpKi= 6.1
238 8.4 2.31039047121XKK (100%) + FMM_A_4
QMean=0.448
P1: (3 Cplx.) RUN2 DOpKi= 6.1
239 6.9 2.31039049653W32 (100%) + W32_A_2
QMean=0.498
P1: (6 Cplx.) RUN1 DOpKi= 6.2
240 7.7 2.31039053163W33 (100%) + W19_A_2
QMean=0.487
P1: (3 Cplx.) RUN1 DOpKi= 7.6
241 8.3 2.34RJ7_3R1U159 (100%) + xxx_A_2
QMean=0.489
P1: (5 Cplx.) VALID0 DO-= -
242 8.7 2.4103905444U153 (100%) + xxx_A_2
QMean=0.480
P1: (8 Cplx.) RUN0 ODpKi= 5.8
243 6.6 2.41039046734I24 (99%) + 1C9_B_4
QMean=0.462
P1: (14 Cplx.) RUN0 DOpKi= 6.6
244 6.1 2.41039042924FYO (42%) + 0VF_A_2
QMean=0.445
P1: (3 Cplx.) RUN2 DOpKi= 5.9
245 6.6 2.41039042163LZB (99%) + ITI_D_12
QMean=0.480
P2: (3 Cplx.) RUN2 DOpKi= 6.2
246 7.6 2.4103904288U165 (100%) + xxx_A_2
QMean=0.508
P2: (4 Cplx.) RUN0 DOpKi= 6
247 7.7 2.4103904189U161 (100%) + xxx_A_2
QMean=0.510
P3: (3 Cplx.) RUN0 ODpKi= 6.1
248 6.1 2.41039041891XKK (100%) + FMM_A_4
QMean=0.448
P1: (5 Cplx.) RUN2 DOpKi= 6.1
249 9.0 2.4103905063U165 (100%) + xxx_A_2
QMean=0.508
P1: (10 Cplx.) RUN0 DOpKi= 7.2
250 7.1 2.41039045502ITO (99%) + IRE_A_2
QMean=0.431
P3: (5 Cplx.) RUN0 DOpKi= 7.4
251 7.1 2.41039056412R4B (80%) + GW7_A_3
QMean=0.520
P1: (13 Cplx.) RUN2 DOpKi= 6.5
252 6.9 2.41039042883BEL (100%) + POX_A_4
QMean=0.459
P1: (3 Cplx.) RUN1 DOpKi= 6
253 6.3 2.44RJ4_3QW3BEL (100%) + POX_A_4
QMean=0.459
P2: (3 Cplx.) VALID0 DO-= -
254 8.8 2.41039050633POZ (100%) + 03P_A_5
QMean=0.479
P1: (10 Cplx.) RUN2 DOpKi= 7.2
255 7.7 2.44RJ7_3R1U159 (100%) + xxx_A_2
QMean=0.489
P1: (6 Cplx.) VALID2 DO-= -
256 7.7 2.44LI5_1WYU160 (100%) + xxx_A_2
QMean=0.489
P2: (3 Cplx.) VALID0 DO-= -
257 7.5 2.41039054822R4B (80%) + GW7_A_3
QMean=0.520
P1: (11 Cplx.) RUN2 DOpKi= 5.8
258 7.5 2.41039044514I24 (99%) + 1C9_A_3
QMean=0.490
P2: (3 Cplx.) RUN2 DOpKi= 6.4
259 8.3 2.41039050614JRV (100%) + KJV_A_2
QMean=0.473
P1: (6 Cplx.) RUN1 DOpKi= 7.2
260 9.3 2.41039054293PP0 (78%) + 03Q_B_4
QMean=0.457
P2: (4 Cplx.) RUN1 DOpKi= 6.6
261 8.0 2.4103904787U170 (100%) + xxx_A_2
QMean=0.489
P1: (4 Cplx.) RUN0 DOpKi= 6.1
262 8.6 2.41039050642R4B (80%) + GW7_A_3
QMean=0.520
P1: (6 Cplx.) RUN1 DOpKi= 5.9
263 7.6 2.51039056324JQ8 (100%) + KJ8_A_2
QMean=0.471
P2: (3 Cplx.) RUN1 DOpKi= 6.7
264 6.2 2.51039054433PP0 (78%) + 03Q_B_4
QMean=0.457
P1: (12 Cplx.) RUN1 DOpKi= 6.5
265 6.5 2.51039046734I24 (99%) + 1C9_A_3
QMean=0.490
P1: (8 Cplx.) RUN1 DOpKi= 6.6
266 8.4 2.5103904313U164 (100%) + xxx_A_2
QMean=0.489
P1: (10 Cplx.) RUN0 DOpKi= 6.1
267 8.6 2.5103905445U167 (100%) + xxx_A_2
QMean=0.480
P1: (7 Cplx.) RUN0 DOpKi= 5.8
268 7.9 2.51039044114JQ7 (100%) + KJQ_A_2
QMean=0.485
P1: (3 Cplx.) RUN2 DOpKi= 7.8
269 6.7 2.51039046014I22 (99%) + IRE_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 DOpKi= 7.5
270 8.4 2.51039044023W33 (100%) + W19_A_2
QMean=0.487
P1: (3 Cplx.) RUN0 DOpKi= 7.1
271 8.9 2.51039047522R4B (80%) + GW7_A_3
QMean=0.520
P2: (3 Cplx.) RUN0 DOpKi= 5.8

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.07



Action on selected entries :