Screening Results : Docking based on all models from entry : EPHA2_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 7.1 1.21039043602C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN2 pKi= 6.6
2 6.9 2.01039050553VS2 (42%) + VSB_A_3
QMean=0.439
P1: (8 Cplx.) RUN2 pKi= 5.8
3 8.2 2.31039046022Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (5 Cplx.) RUN2 pKi= 5.9
4 8.6 1.41039043172C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 6.1
5 8.6 1.51039043344DGG (43%) + I76_B_4
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 5.9
6 8.4 1.21039042802C0I (42%) + L1G_A_3
QMean=0.476
P1: (8 Cplx.) RUN2 pKi= 7
7 7.8 2.11039056843BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN2 pKi= 5.9
8 6.7 1.51039050953VRY (42%) + B43_B_7
QMean=0.453
P1: (16 Cplx.) RUN2 pKi= 7.7
9 8.8 2.01039042882C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.1
10 8.6 2.01039042963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 6.5
11 6.3 2.21039055862Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN0 pKi= 6.4
12 7.6 1.21039042752C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.6
13 10.1 2.21039042912C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.9
14 6.9 1.91039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (16 Cplx.) RUN2 pKi= 6.9
15 6.6 2.31039046002VWX (67%) + 7X4_A_2
QMean=0.605
P1: (8 Cplx.) RUN1 pKi= 7
16 6.9 1.11039042762C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN1 pKi= 7
17 7.8 2.31039055253VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN0 pKi= 7.9
18 7.4 1.41039043392C0I (42%) + L1G_A_3
QMean=0.476
P1: (9 Cplx.) RUN1 pKi= 6.1
19 7.0 1.41039042952C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 6.1
20 8.1 2.51039050753VRY (42%) + B43_B_7
QMean=0.453
P1: (3 Cplx.) RUN0 pKi= 5.1
21 7.8 1.51039042942C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 7.1
22 8.6 1.31039042792C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 7.3
23 8.2 2.01039043613VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 7.7
24 9.3 1.61039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 5.7
25 7.4 1.41039043592C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 6.4
26 5.8 0.41039046112VWY (67%) + 7X5_A_2
QMean=0.625
P1: (5 Cplx.) RUN0 pKi= 5.3
27 6.6 2.31039056224AW5 (67%) + 30K_A_2
QMean=0.570
P1: (4 Cplx.) RUN2 pKi= 6.3
28 9.2 1.41039043132C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 7.7
29 8.1 2.11039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN1 pKi= 8.5
30 5.7 2.31039044523VRY (42%) + B43_B_7
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 5.6
31 7.4 1.51039043382C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN1 pKi= 6.2
32 9.1 1.31039043022C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN1 pKi= 6.5
33 7.8 2.01039042953VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 6.1
34 8.2 2.11039047643VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN2 pKi= 6.1
35 7.1 1.41039045962X9F (67%) + X9F_A_2
QMean=0.600
P1: (5 Cplx.) RUN1 pKi= 5.9
36 7.9 1.51039043073VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (7 Cplx.) RUN2 pKi= 6.9
37 8.5 2.21039042863BYU (43%) + AM6_A_2
QMean=0.439
P1: (7 Cplx.) RUN1 pKi= 5.6
38 5.6 2.51039056073VRY (42%) + B43_B_7
QMean=0.453
P1: (5 Cplx.) RUN1 pKi= 7.3
39 8.3 1.71039045972PL0 (43%) + STI_A_2
QMean=0.451
P1: (6 Cplx.) RUN1 pKi= 6.9
40 9.1 2.01039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN2 pKi= 7.1
41 9.2 1.71039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 5.7
42 5.8 1.01039045932X9F (67%) + X9F_A_2
QMean=0.600
P1: (5 Cplx.) RUN1 pKi= 6.2
43 5.8 0.71039045942VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (7 Cplx.) RUN1 pKi= 6.5
44 9.0 1.61039042932C0I (42%) + L1G_A_3
QMean=0.476
P1: (3 Cplx.) RUN2 pKi= 5.8
45 6.8 2.51039053543VS1 (42%) + VSA_A_5
QMean=0.453
P1: (5 Cplx.) RUN0 pKi= 5.7
46 7.6 0.51039055432Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN1 pKi= 8.4
47 7.7 1.71039042963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (5 Cplx.) RUN1 pKi= 6.5
48 6.6 2.51039045942X9F (67%) + X9F_A_2
QMean=0.600
P1: (4 Cplx.) RUN0 pKi= 6.5
49 7.7 1.41039043352C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.4
50 7.4 2.11039050943VS7 (42%) + KS1_B_6
QMean=0.435
P1: (13 Cplx.) RUN1 pKi= 6.5
51 8.2 2.41039043363B2W (43%) + 9NH_A_2
QMean=0.455
P1: (3 Cplx.) RUN0 pKi= 6.9
52 8.3 1.61039043174DGG (43%) + I76_B_4
QMean=0.475
P1: (5 Cplx.) RUN1 pKi= 6.1
53 8.9 1.61039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 6.5
54 9.0 1.51039043072C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 6.9
55 10.2 1.81039043043VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 7
56 7.7 1.51039043463B2W (43%) + 9NH_A_2
QMean=0.455
P1: (7 Cplx.) RUN1 pKi= 7
57 6.1 1.71039056482VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (4 Cplx.) RUN2 pKi= 6.2
58 9.6 1.71039042914DGG (43%) + I76_B_4
QMean=0.475
P1: (6 Cplx.) RUN2 pKi= 5.9
59 7.4 1.81039043403VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN2 pKi= 5.6
60 9.0 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.1
61 8.2 2.01039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN0 pKi= 8.5
62 7.2 2.01039055543VRY (42%) + B43_B_7
QMean=0.453
P1: (5 Cplx.) RUN2 pKi= 5.7
63 7.7 2.41039052504BB4 (67%) + 32W_A_2
QMean=0.588
P1: (5 Cplx.) RUN0 pKi= 7
64 7.9 1.81039043592C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 6.4
65 8.5 1.41039043082C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 7.2
66 5.5 2.21039044523VS0 (42%) + VS0_A_5
QMean=0.431
P1: (9 Cplx.) RUN1 pKi= 5.6
67 8.5 2.31039044443BYU (43%) + AM6_A_2
QMean=0.439
P1: (6 Cplx.) RUN1 pKi= 6.1
68 7.7 1.41039043402C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 5.6
69 7.3 2.41039056224AW5 (67%) + 30K_A_2
QMean=0.570
P1: (4 Cplx.) RUN1 pKi= 6.3
70 8.2 1.71039043342C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 5.9
71 9.1 1.91039043412C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 6.7
72 8.6 2.11039043573BYU (43%) + AM6_A_2
QMean=0.439
P1: (6 Cplx.) RUN1 pKi= 7.4
73 9.5 1.71039042832C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 6.1
74 8.9 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN1 pKi= 7.1
75 8.0 2.31039047643VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (3 Cplx.) RUN1 pKi= 6.1
76 9.1 1.41039047842C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 7.5
77 6.1 2.41039051822XVD (67%) + AS6_A_2
QMean=0.572
P1: (8 Cplx.) RUN1 pKi= 5.6
78 8.5 1.71039052512VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (9 Cplx.) RUN0 pKi= 6.7
79 8.6 1.71039044202C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN1 pKi= 7
80 7.2 1.91039043363VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN2 pKi= 6.9
81 8.9 2.01039042882C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN0 pKi= 7.1
82 8.4 2.11039042852OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.3
83 7.2 2.51039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (16 Cplx.) RUN0 pKi= 6.9
84 8.4 1.21039043152C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN2 pKi= 7.1
85 8.6 1.51039043162C0I (42%) + L1G_A_3
QMean=0.476
P1: (8 Cplx.) RUN2 pKi= 6.9
86 7.5 2.01039043403VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN0 pKi= 5.6
87 8.7 1.61039042802C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 7
88 9.1 1.31039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 6.5
89 6.7 1.41039045912VWX (67%) + 7X4_A_2
QMean=0.605
P1: (5 Cplx.) RUN2 pKi= 8.2
90 9.8 1.61039043042C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 7
91 7.9 1.71039043463VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (9 Cplx.) RUN2 pKi= 7
92 7.9 2.21039043393VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 6.1
93 7.3 2.11039044442C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN2 pKi= 6.1
94 8.7 2.11039043514DGG (43%) + I76_B_4
QMean=0.475
P1: (7 Cplx.) RUN0 pKi= 5.7
95 7.0 1.71039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (18 Cplx.) RUN1 pKi= 6.9
96 9.6 2.31039044183VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN1 pKi= 7
97 8.7 1.91039043514DGG (43%) + I76_B_4
QMean=0.475
P1: (6 Cplx.) RUN2 pKi= 5.7
98 9.7 1.51039043203VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN2 pKi= 7.7
99 8.3 2.01039043153VS0 (42%) + VS0_A_5
QMean=0.431
P1: (4 Cplx.) RUN1 pKi= 7.1
100 8.1 2.11039049442C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN0 pKi= 5.7
101 9.4 2.31039043003VS6 (42%) + VSH_A_6
QMean=0.455
P1: (8 Cplx.) RUN0 pKi= 6.7
102 6.5 1.71039043372C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.7
103 9.8 2.11039043033VS6 (42%) + VSH_A_6
QMean=0.455
P1: (6 Cplx.) RUN0 pKi= 6.8
104 8.7 1.61039043162C0I (42%) + L1G_A_3
QMean=0.476
P1: (7 Cplx.) RUN0 pKi= 6.9
105 5.6 1.51039044032VWX (67%) + 7X4_A_2
QMean=0.605
P1: (6 Cplx.) RUN1 pKi= 6.6
106 8.3 1.61039046503VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN2 pKi= 5.9
107 8.2 1.91039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (11 Cplx.) RUN2 pKi= 8.5
108 8.3 1.91039052193DKO (69%) + IHZ_A_2
QMean=0.590
P1: (3 Cplx.) RUN0 pKi= 7.2
109 6.8 1.11039042752C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 6.6
110 9.6 2.01039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN0 pKi= 7.1
111 5.5 2.01039047892HEN (71%) + ADP_D_12
QMean=0.560
P1: (17 Cplx.) RUN1 pKi= 6
112 8.6 1.21039043222C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7
113 8.8 1.61039043033VS6 (42%) + VSH_A_6
QMean=0.455
P1: (9 Cplx.) RUN2 pKi= 6.8
114 6.0 2.31039047894DGG (43%) + I76_B_4
QMean=0.475
P1: (9 Cplx.) RUN2 pKi= 6
115 9.1 1.11039042802C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 7
116 6.0 2.11039043104BB4 (67%) + 32W_A_2
QMean=0.588
P1: (3 Cplx.) RUN0 pKi= 7.7
117 6.5 2.11039049532C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN1 pKi= 6.1
118 8.8 1.51039042772C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7.4
119 8.1 1.41039043612C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.7
120 7.5 1.41039043652C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 5.8
121 9.7 2.11039043262C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7.7
122 7.0 1.81039053153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN1 pKi= 7.3
123 8.4 1.31039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (3 Cplx.) RUN1 pKi= 7.1
124 7.4 1.81039056842Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (4 Cplx.) RUN1 pKi= 5.9
125 8.4 1.51039043344DGG (43%) + I76_B_4
QMean=0.475
P1: (9 Cplx.) RUN2 pKi= 5.9
126 7.6 2.01039043653VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 5.8
127 6.5 1.61039055862HK5 (44%) + 1BM_A_2
QMean=0.496
P1: (5 Cplx.) RUN1 pKi= 6.4
128 5.9 2.01039041912VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (5 Cplx.) RUN0 pKi= 5.8
129 5.6 0.61039046042VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (5 Cplx.) RUN1 pKi= 6.6
130 7.5 1.61039043093VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN2 pKi= 8
131 5.9 0.61039045942X9F (67%) + X9F_A_2
QMean=0.600
P1: (7 Cplx.) RUN2 pKi= 6.5
132 7.9 2.41039043092C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 8
133 9.7 1.31039047842C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN2 pKi= 7.5
134 8.7 2.21039043072C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN0 pKi= 6.9
135 8.8 1.51039043032C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 6.8
136 7.4 2.01039043423VS6 (42%) + VSH_A_6
QMean=0.455
P1: (6 Cplx.) RUN1 pKi= 6.2
137 6.1 2.51039045952VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (3 Cplx.) RUN2 pKi= 6.9
138 6.2 0.61039046042VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (7 Cplx.) RUN2 pKi= 6.6
139 7.8 1.61039042753VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN0 pKi= 6.6
140 8.7 1.51039042792C0O (42%) + L2G_A_3
QMean=0.469
P1: (4 Cplx.) RUN2 pKi= 7.3
141 9.2 2.01039043412C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.7
142 9.4 1.61039043022C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN2 pKi= 6.5
143 5.3 0.61039046112VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (12 Cplx.) RUN1 pKi= 5.3
144 6.7 1.71039055582Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (9 Cplx.) RUN2 pKi= 5.6
145 8.8 1.91039043132OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 7.7
146 9.2 1.71039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.5
147 8.1 1.91039042862C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 5.6
148 6.7 2.41039056322VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (6 Cplx.) RUN0 pKi= 7.5
149 8.9 1.81039043263VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (5 Cplx.) RUN1 pKi= 7.7
150 7.1 2.21039052773VRY (42%) + B43_B_7
QMean=0.453
P1: (12 Cplx.) RUN2 pKi= 5.7
151 7.8 1.61039047412OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 7.7
152 9.4 2.01039042892OFV (43%) + 242_D_4
QMean=0.407
P1: (4 Cplx.) RUN1 pKi= 7.9
153 9.8 1.81039043203VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN0 pKi= 7.7
154 8.1 1.51039043713DKO (69%) + IHZ_A_2
QMean=0.590
P1: (7 Cplx.) RUN2 pKi= 6.3
155 8.1 1.51039043422C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 6.2
156 8.3 1.91039046503VS1 (42%) + VSA_A_5
QMean=0.453
P1: (4 Cplx.) RUN0 pKi= 5.9
157 6.3 1.71039046502C0I (42%) + L1G_A_3
QMean=0.476
P1: (6 Cplx.) RUN1 pKi= 5.9
158 9.7 1.81039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN0 pKi= 5.7
159 7.7 1.31039043102C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN2 pKi= 7.7
160 6.0 2.11039045954BB4 (67%) + 32W_A_2
QMean=0.588
P1: (3 Cplx.) RUN1 pKi= 6.9
161 9.7 2.01039043043VS1 (42%) + VSA_A_5
QMean=0.453
P1: (7 Cplx.) RUN2 pKi= 7
162 7.7 2.51039045963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (3 Cplx.) RUN0 pKi= 5.9
163 8.1 1.41039042772C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN1 pKi= 7.4
164 7.2 1.61039043482C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 7.5
165 5.6 2.31039044523VRY (42%) + B43_B_7
QMean=0.453
P1: (10 Cplx.) RUN2 pKi= 5.6
166 9.2 1.41039047852C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN1 pKi= 7
167 8.4 1.51039043133VS0 (42%) + VS0_A_5
QMean=0.431
P1: (9 Cplx.) RUN2 pKi= 7.7
168 6.2 1.41039044032X9F (67%) + X9F_A_2
QMean=0.600
P1: (9 Cplx.) RUN2 pKi= 6.6
169 8.6 1.41039043542C0I (42%) + L1G_A_3
QMean=0.476
P1: (6 Cplx.) RUN1 pKi= 7.8
170 5.1 2.31039056054FYO (37%) + 0VF_A_2
QMean=0.510
P1: (5 Cplx.) RUN0 pKi= 5.9
171 8.4 2.11039043354DGG (43%) + I76_B_4
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 6.4
172 9.3 2.21039042722C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7.2
173 7.6 1.31039042764DGG (43%) + I76_B_4
QMean=0.475
P1: (8 Cplx.) RUN2 pKi= 7
174 8.1 1.51039042962C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 6.5
175 7.8 1.61039043482C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 7.5
176 8.4 1.31039043103B2W (43%) + 9NH_A_2
QMean=0.455
P1: (5 Cplx.) RUN1 pKi= 7.7
177 6.3 1.91039056482VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (7 Cplx.) RUN1 pKi= 6.2
178 8.1 1.11039042852C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.3
179 8.0 2.01039043572C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.4
180 6.7 1.81039043382C0I (42%) + L1G_A_3
QMean=0.476
P1: (4 Cplx.) RUN2 pKi= 6.2
181 7.4 1.21039043622C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 6.8
182 10.1 1.81039042932C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.8
183 8.3 1.71039043462C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN0 pKi= 7
184 8.2 1.81039043613VS1 (42%) + VSA_A_5
QMean=0.453
P1: (7 Cplx.) RUN1 pKi= 7.7
185 7.1 1.61039043162C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN1 pKi= 6.9
186 7.9 1.61039047422OFV (43%) + 242_D_4
QMean=0.407
P1: (4 Cplx.) RUN1 pKi= 7
187 7.8 1.91039043622C0O (42%) + L2G_A_3
QMean=0.469
P1: (4 Cplx.) RUN0 pKi= 6.8
188 9.6 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 7.1
189 7.2 2.51039056073VS4 (42%) + VSF_A_5
QMean=0.459
P1: (13 Cplx.) RUN2 pKi= 7.3
190 6.4 1.71039055582VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (4 Cplx.) RUN0 pKi= 5.6
191 7.2 2.51039054282Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN1 pKi= 5.5
192 7.2 1.91039043583DKO (69%) + IHZ_A_2
QMean=0.590
P1: (5 Cplx.) RUN1 pKi= 5.9
193 8.6 1.41039043002C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 6.7
194 8.7 2.31039043362OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.9
195 6.7 2.21039050954FYO (37%) + 0VF_A_2
QMean=0.510
P1: (16 Cplx.) RUN1 pKi= 7.7
196 7.8 1.41039043712OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.3
197 7.9 1.81039043303VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN1 pKi= 6.8
198 6.7 1.51039043653VS1 (42%) + VSA_A_5
QMean=0.453
P1: (9 Cplx.) RUN1 pKi= 5.8
199 8.0 1.61039043083VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN2 pKi= 7.2
200 8.6 1.51039043422C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.2
201 7.2 2.01039053153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN2 pKi= 7.3
202 6.2 2.31039047893VS7 (42%) + KS1_B_6
QMean=0.435
P1: (6 Cplx.) RUN0 pKi= 6
203 9.3 1.31039047852C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7
204 8.7 1.41039043082C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 7.2
205 9.0 1.71039042772C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN0 pKi= 7.4
206 8.5 1.91039043662C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 7.8
207 8.0 1.71039052193DKO (69%) + IHZ_A_2
QMean=0.590
P1: (4 Cplx.) RUN2 pKi= 7.2
208 8.2 2.01039047423DKO (69%) + IHZ_A_2
QMean=0.590
P1: (5 Cplx.) RUN2 pKi= 7
209 6.3 1.61039044032VWY (67%) + 7X5_A_2
QMean=0.625
P1: (8 Cplx.) RUN0 pKi= 6.6
210 7.2 2.41039045912VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (4 Cplx.) RUN0 pKi= 8.2
211 7.7 1.71039042762C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN0 pKi= 7
212 7.6 1.51039042942C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN1 pKi= 7.1
213 8.0 1.41039043302C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 6.8
214 9.1 1.71039042833VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN2 pKi= 6.1
215 7.9 1.21039043392C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.1
216 9.0 1.21039043542C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7.8
217 5.8 1.71039052153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN1 pKi= 6.9
218 7.8 1.81039043592C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 6.4
219 8.8 2.51039047412OFV (43%) + 242_D_4
QMean=0.407
P1: (5 Cplx.) RUN0 pKi= 7.7
220 7.2 2.21039054882C0O (42%) + L2G_A_3
QMean=0.469
P1: (3 Cplx.) RUN2 pKi= 6.4
221 7.6 1.31039045912Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (5 Cplx.) RUN1 pKi= 8.2
222 7.9 1.31039043142C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 6.6
223 7.1 2.11039054883VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN1 pKi= 6.4
224 8.5 1.51039043174DGG (43%) + I76_B_4
QMean=0.475
P1: (5 Cplx.) RUN0 pKi= 6.1
225 10.1 1.91039042973BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN1 pKi= 7
226 8.7 2.31039042722OFV (43%) + 242_D_4
QMean=0.407
P2: (4 Cplx.) RUN1 pKi= 7.2
227 6.6 2.41039046042VWY (67%) + 7X5_A_2
QMean=0.625
P2: (3 Cplx.) RUN0 pKi= 6.6
228 5.7 0.11039046112X9F (67%) + X9F_A_2
QMean=0.600
P2: (5 Cplx.) RUN2 pKi= 5.3
229 6.9 1.61039056082Y6O (74%) + 1N1_A_2
QMean=0.582
P2: (3 Cplx.) RUN2 pKi= 7.5
230 6.6 2.01039055541Y57 (41%) + MPZ_G_7
QMean=0.420
P2: (3 Cplx.) RUN1 pKi= 5.7
231 9.6 1.71039043262C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN0 pKi= 7.7
232 6.3 2.41039045972C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN2 pKi= 6.9
233 7.4 1.11039052512X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN1 pKi= 6.7
234 5.8 1.51039050552X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN0 pKi= 5.8
235 9.6 2.21039043023VS6 (42%) + VSH_A_6
QMean=0.455
P2: (5 Cplx.) RUN0 pKi= 6.5
236 7.7 1.61039043623VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN1 pKi= 6.8
237 8.8 2.41039047643VRY (42%) + B43_B_7
QMean=0.453
P2: (3 Cplx.) RUN0 pKi= 6.1
238 7.5 1.41039055432VWX (67%) + 7X4_A_2
QMean=0.605
P2: (3 Cplx.) RUN0 pKi= 8.4
239 9.6 2.41039042832C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN0 pKi= 6.1
240 7.6 1.71039042973VS1 (42%) + VSA_A_5
QMean=0.453
P2: (4 Cplx.) RUN2 pKi= 7
241 8.3 1.11039055433BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN2 pKi= 8.4
242 8.1 1.21039042852C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 6.3
243 8.5 2.11039043092OFV (43%) + 242_D_4
QMean=0.407
P2: (6 Cplx.) RUN1 pKi= 8
244 8.3 2.11039042923VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN2 pKi= 7
245 8.0 1.31039052512X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN2 pKi= 6.7
246 7.2 1.91039043323VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN2 pKi= 6.4
247 7.9 1.71039052502VX1 (67%) + 7X8_A_2
QMean=0.603
P2: (4 Cplx.) RUN2 pKi= 7
248 6.9 1.61039055252C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN1 pKi= 7.9
249 8.8 1.61039043352OFV (43%) + 242_D_4
QMean=0.407
P2: (4 Cplx.) RUN1 pKi= 6.4
250 8.4 2.01039043142C0T (42%) + L3G_A_3
QMean=0.454
P2: (5 Cplx.) RUN1 pKi= 6.6
251 6.9 2.11039045922VWZ (67%) + 7X6_A_2
QMean=0.630
P2: (3 Cplx.) RUN2 pKi= 5.6
252 5.4 2.31039041913DKO (69%) + IHZ_A_2
QMean=0.590
P2: (3 Cplx.) RUN1 pKi= 5.8
253 6.9 1.71039043603VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN1 pKi= 6.6
254 8.2 2.01039043572C0T (42%) + L3G_A_3
QMean=0.454
P2: (5 Cplx.) RUN0 pKi= 7.4
255 9.1 2.21039043583BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN0 pKi= 5.9
256 7.0 1.71039053543DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN1 pKi= 5.7
257 6.9 2.41039046572PL0 (43%) + STI_A_2
QMean=0.451
P2: (3 Cplx.) RUN2 pKi= 5.6
258 7.7 1.51039042952C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN2 pKi= 6.1
259 7.3 1.81039049532C0O (42%) + L2G_A_3
QMean=0.469
P2: (4 Cplx.) RUN2 pKi= 6.1
260 7.3 2.31039053543DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN2 pKi= 5.7
261 5.8 2.01039056082Y6O (74%) + 1N1_A_2
QMean=0.582
P2: (3 Cplx.) RUN1 pKi= 7.5
262 6.9 2.21039049443VS4 (42%) + VSF_A_5
QMean=0.459
P2: (4 Cplx.) RUN2 pKi= 5.7
263 6.8 2.41039056322C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN2 pKi= 7.5
264 5.9 1.91039041912VX1 (67%) + 7X8_A_2
QMean=0.603
P2: (3 Cplx.) RUN2 pKi= 5.8
265 7.1 1.91039055863VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN2 pKi= 6.4
266 8.4 2.11039052192OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 7.2
267 7.7 1.81039042943VS0 (42%) + VS0_A_5
QMean=0.431
P2: (4 Cplx.) RUN0 pKi= 7.1
268 9.0 2.01039042892C0I (42%) + L1G_A_3
QMean=0.476
P2: (4 Cplx.) RUN0 pKi= 7.9
269 7.7 2.51039055543VS2 (42%) + VSB_A_3
QMean=0.439
P2: (3 Cplx.) RUN0 pKi= 5.7
270 8.2 1.61039043222C0I (42%) + L1G_A_3
QMean=0.476
P2: (3 Cplx.) RUN1 pKi= 7
271 7.9 1.91039043662OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 7.8
272 6.4 1.21039055582X9F (67%) + X9F_A_2
QMean=0.600
P2: (4 Cplx.) RUN1 pKi= 5.6
273 6.3 0.51039045932VWY (67%) + 7X5_A_2
QMean=0.625
P2: (3 Cplx.) RUN2 pKi= 6.2
274 7.5 2.11039042884DGG (43%) + I76_B_4
QMean=0.475
P2: (4 Cplx.) RUN1 pKi= 7.1
275 9.0 1.91039043512OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 5.7
276 6.9 1.81039046002XVD (67%) + AS6_A_2
QMean=0.572
P2: (3 Cplx.) RUN2 pKi= 7
277 7.4 1.51039047412C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN2 pKi= 7.7
278 5.0 2.21039056054FYO (37%) + 0VF_A_2
QMean=0.510
P2: (4 Cplx.) RUN2 pKi= 5.9
279 7.4 2.41039043372C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 5.7
280 6.2 2.01039052772XYU (74%) + Q9G_A_8
QMean=0.620
P2: (3 Cplx.) RUN1 pKi= 5.7
281 7.2 1.81039050943VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (6 Cplx.) RUN2 pKi= 6.5
282 8.3 1.81039043303VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN0 pKi= 6.8
283 9.2 2.11039043222OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN0 pKi= 7
284 9.9 1.91039042792C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 7.3
285 8.8 2.01039047423DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN0 pKi= 7
286 7.3 1.91039043323VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN1 pKi= 6.4
287 8.7 1.91039043413VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (4 Cplx.) RUN1 pKi= 6.7
288 9.7 2.01039042914DGG (43%) + I76_B_4
QMean=0.475
P3: (3 Cplx.) RUN0 pKi= 5.9
289 7.7 1.91039043383VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN0 pKi= 6.2
290 9.4 2.41039042722C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 7.2
291 7.9 1.61039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN0 pKi= 6.6
292 7.6 1.71039052502VWY (67%) + 7X5_A_2
QMean=0.625
P3: (3 Cplx.) RUN1 pKi= 7
293 9.4 1.61039043202C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN1 pKi= 7.7
294 8.3 1.81039042922C0O (42%) + L2G_A_3
QMean=0.469
P3: (3 Cplx.) RUN1 pKi= 7
295 7.3 2.31039043483VS1 (42%) + VSA_A_5
QMean=0.453
P3: (3 Cplx.) RUN0 pKi= 7.5
296 8.5 2.11039043142C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 6.6
297 6.8 2.21039045933VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN0 pKi= 6.2
298 7.1 1.41039042783VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN1 pKi= 6.7
299 8.4 2.31039043603VS6 (42%) + VSH_A_6
QMean=0.455
P3: (3 Cplx.) RUN0 pKi= 6.6
300 10.3 1.61039047842C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 7.5
301 7.9 1.51039056323BYU (43%) + AM6_A_2
QMean=0.439
P3: (3 Cplx.) RUN1 pKi= 7.5
302 5.4 1.31039050554BB4 (67%) + 32W_A_2
QMean=0.588
P3: (3 Cplx.) RUN1 pKi= 5.8
303 4.4 2.01039053193VS2 (42%) + VSB_A_3
QMean=0.439
P3: (3 Cplx.) RUN2 pKi= 5.5
304 7.7 1.01039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN2 pKi= 6.6
305 4.6 1.71039056762OFV (43%) + 242_D_4
QMean=0.407
P3: (3 Cplx.) RUN1 pKi= 5.3
306 7.1 1.11039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN1 pKi= 6.6
307 5.3 2.21039056054FYO (37%) + 0VF_A_2
QMean=0.510
P3: (3 Cplx.) RUN1 pKi= 5.9
308 6.4 1.51039052152VWZ (67%) + 7X6_A_2
QMean=0.630
P3: (3 Cplx.) RUN2 pKi= 6.9
309 7.9 1.91039043713DKO (69%) + IHZ_A_2
QMean=0.590
P4: (3 Cplx.) RUN0 pKi= 6.3
310 10.1 1.71039047852C0T (42%) + L3G_A_3
QMean=0.454
P4: (3 Cplx.) RUN0 pKi= 7

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.31



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