Screening Results : Docking based on all models from entry : FES_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 7.4 0.71039041952Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (6 Cplx.) RUN2 pKi= 6.3
2 7.5 0.71039041952Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (5 Cplx.) RUN1 pKi= 6.3
3 6.3 0.91039045022Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (7 Cplx.) RUN2 pKi= 6.2
4 6.3 0.91039042152Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (13 Cplx.) RUN0 pKi= 6.2
5 6.3 0.91039042152Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (15 Cplx.) RUN2 pKi= 6.2
6 8.2 1.01039045921OPL (38%) + P16_B_5
QMean=0.513
P1: (7 Cplx.) RUN2 pKi= 7.4
7 5.9 1.01039047863DK3 (43%) + SX7_B_5
QMean=0.503
P2: (4 Cplx.) RUN0 pKi= 6.4
8 6.3 1.01039042152Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (11 Cplx.) RUN1 pKi= 6.2
9 6.2 1.11039045022Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (4 Cplx.) RUN1 pKi= 6.2
10 9.4 1.11039042883CS9 (43%) + NIL_D_8
QMean=0.534
P1: (7 Cplx.) RUN2 pKi= 6.2
11 9.5 1.11039047882C0T (36%) + L3G_B_6
QMean=0.481
P1: (3 Cplx.) RUN2 pKi= 6.5
12 7.2 1.21039041962Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (6 Cplx.) RUN2 pKi= 5.9
13 6.3 1.21039047863IK3 (43%) + 0LI_A_3
QMean=0.490
P2: (3 Cplx.) RUN2 pKi= 6.4
14 7.9 1.21039055432HZI (43%) + JIN_B_4
QMean=0.527
P2: (4 Cplx.) RUN2 pKi= 5.7
15 7.9 1.21039043263VS0 (36%) + VS0_A_5
QMean=0.492
P2: (3 Cplx.) RUN2 pKi= 7.3
16 7.1 1.21039041962Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (6 Cplx.) RUN1 pKi= 5.9
17 9.6 1.21039042883CS9 (43%) + NIL_D_8
QMean=0.534
P1: (7 Cplx.) RUN0 pKi= 6.2
18 8.3 1.21039043262HZN (43%) + KIN_A_2
QMean=0.385
P1: (3 Cplx.) RUN1 pKi= 7.3
19 5.6 1.21039046493QRI (43%) + 919_A_5
QMean=0.497
P1: (4 Cplx.) RUN2 pKi= 6.9
20 6.7 1.21039042112Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (5 Cplx.) RUN1 pKi= 5.9
21 8.2 1.21039043401M52 (43%) + P17_A_5
QMean=0.505
P1: (5 Cplx.) RUN0 pKi= 6
22 9.9 1.21039042893IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (7 Cplx.) RUN0 pKi= 5.8
23 8.0 1.21039043152HZN (43%) + KIN_A_2
QMean=0.385
P1: (5 Cplx.) RUN1 pKi= 6.6
24 6.7 1.31039043402C0T (36%) + L3G_B_6
QMean=0.481
P3: (3 Cplx.) RUN2 pKi= 6
25 8.0 1.31039043222HZN (43%) + KIN_A_2
QMean=0.385
P1: (4 Cplx.) RUN1 pKi= 6.3
26 7.2 1.31039043342C0T (36%) + L3G_B_6
QMean=0.481
P2: (3 Cplx.) RUN2 pKi= 5.9
27 7.7 1.31039044792Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (3 Cplx.) RUN1 pKi= 5.8
28 8.3 1.31039047873VS0 (36%) + VS0_A_5
QMean=0.492
P2: (3 Cplx.) RUN2 pKi= 6.5
29 7.6 1.41039056492HZI (43%) + JIN_B_4
QMean=0.527
P2: (5 Cplx.) RUN1 pKi= 6.4
30 9.0 1.41039047842XYN (44%) + VX6_A_5
QMean=0.477
P1: (3 Cplx.) RUN2 pKi= 6
31 6.4 1.41039056701OPL (38%) + P16_B_5
QMean=0.513
P1: (3 Cplx.) RUN1 pKi= 6.9
32 7.6 1.41039048563VS6 (36%) + VSH_B_10
QMean=0.461
P1: (4 Cplx.) RUN2 pKi= 6.5
33 8.2 1.41039047883VS0 (36%) + VS0_A_5
QMean=0.492
P2: (3 Cplx.) RUN1 pKi= 6.5
34 8.2 1.41039047873VS0 (36%) + VS0_A_5
QMean=0.492
P1: (4 Cplx.) RUN1 pKi= 6.5
35 4.4 1.41039050061OPL (38%) + P16_B_5
QMean=0.513
P4: (3 Cplx.) RUN1 pKi= 6
36 5.9 1.51039049043VS6 (36%) + VSH_B_10
QMean=0.461
P3: (3 Cplx.) RUN2 pKi= 6.6
37 7.4 1.51039043333VS0 (36%) + VS0_A_5
QMean=0.492
P2: (4 Cplx.) RUN2 pKi= 5.9
38 6.7 1.51039045672HZI (43%) + JIN_B_4
QMean=0.527
P1: (3 Cplx.) RUN2 pKi= 6.6
39 7.9 1.51039043543VS0 (36%) + VS0_A_5
QMean=0.492
P3: (3 Cplx.) RUN1 pKi= 6.8
40 5.8 1.51039049063VS6 (36%) + VSH_B_10
QMean=0.461
P3: (3 Cplx.) RUN2 pKi= 6.6
41 7.6 1.51039045112HZI (43%) + JIN_B_4
QMean=0.527
P1: (5 Cplx.) RUN1 pKi= 5.9
42 8.8 1.51039042883CS9 (43%) + NIL_D_8
QMean=0.534
P1: (6 Cplx.) RUN1 pKi= 6.2
43 8.0 1.51039043413IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (3 Cplx.) RUN2 pKi= 6.7
44 5.5 1.51039043522HZN (43%) + KIN_A_2
QMean=0.385
P2: (3 Cplx.) RUN1 pKi= 6.3
45 7.4 1.51039054972XYN (44%) + VX6_A_5
QMean=0.477
P1: (3 Cplx.) RUN2 pKi= 5.8
46 6.0 1.51039046041OPL (38%) + P16_B_5
QMean=0.513
P2: (3 Cplx.) RUN1 pKi= 8.1
47 7.6 1.51039052471M52 (43%) + P17_A_5
QMean=0.505
P1: (3 Cplx.) RUN2 pKi= 7.3
48 6.0 1.51039047863IK3 (43%) + 0LI_A_3
QMean=0.490
P3: (3 Cplx.) RUN1 pKi= 6.4
49 7.4 1.51039047393KFA (43%) + B91_B_4
QMean=0.485
P1: (5 Cplx.) RUN1 pKi= 7.9
50 6.4 1.51039042762C0T (36%) + L3G_B_6
QMean=0.481
P2: (3 Cplx.) RUN2 pKi= 5.8
51 6.7 1.61039042163VS6 (36%) + VSH_B_10
QMean=0.461
P1: (5 Cplx.) RUN1 pKi= 5.9
52 7.3 1.61039043343QRI (43%) + 919_A_5
QMean=0.497
P2: (3 Cplx.) RUN1 pKi= 5.9
53 5.7 1.61039049402Z60 (43%) + P3Y_A_2
QMean=0.528
P2: (5 Cplx.) RUN1 pKi= 6.4
54 5.0 1.61039042111OPL (38%) + P16_B_5
QMean=0.513
P1: (4 Cplx.) RUN2 pKi= 5.9
55 6.7 1.61039046382HZI (43%) + JIN_B_4
QMean=0.527
P1: (3 Cplx.) RUN1 pKi= 6.4
56 7.8 1.61039054972XYN (44%) + VX6_A_5
QMean=0.477
P3: (3 Cplx.) RUN0 pKi= 5.8
57 7.3 1.61039045112HZI (43%) + JIN_B_4
QMean=0.527
P1: (5 Cplx.) RUN2 pKi= 5.9
58 7.5 1.61039043333IK3 (43%) + 0LI_A_3
QMean=0.490
P3: (3 Cplx.) RUN1 pKi= 5.9
59 7.9 1.61039042873VS0 (36%) + VS0_A_5
QMean=0.492
P1: (4 Cplx.) RUN2 pKi= 6
60 6.5 1.61039045091OPL (38%) + P16_B_5
QMean=0.513
P2: (4 Cplx.) RUN1 pKi= 6.2
61 7.8 1.71039043173IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (5 Cplx.) RUN2 pKi= 6.3
62 7.9 1.71039043353IK3 (43%) + 0LI_A_3
QMean=0.490
P4: (3 Cplx.) RUN1 pKi= 6
63 7.2 1.71039046503MS9 (43%) + STI_B_9
QMean=0.482
P1: (5 Cplx.) RUN2 pKi= 6.6
64 7.4 1.71039052502Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (4 Cplx.) RUN1 pKi= 7.5
65 5.8 1.71039045941OPL (38%) + P16_B_5
QMean=0.513
P1: (4 Cplx.) RUN1 pKi= 8
66 7.9 1.71039052472HZI (43%) + JIN_B_4
QMean=0.527
P1: (6 Cplx.) RUN0 pKi= 7.3
67 5.3 1.71039046102HZI (43%) + JIN_B_4
QMean=0.527
P1: (4 Cplx.) RUN1 pKi= 6.5
68 7.9 1.71039045921FPU (43%) + PRC_D_4
QMean=0.505
P1: (3 Cplx.) RUN0 pKi= 7.4
69 7.3 1.71039042763VS0 (36%) + VS0_A_5
QMean=0.492
P4: (3 Cplx.) RUN1 pKi= 5.8
70 6.3 1.71039046041OPL (38%) + P16_B_5
QMean=0.513
P1: (3 Cplx.) RUN2 pKi= 8.1
71 6.9 1.71039043152Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (4 Cplx.) RUN2 pKi= 6.6
72 5.7 1.71039046102XYN (44%) + VX6_A_5
QMean=0.477
P1: (4 Cplx.) RUN2 pKi= 6.5
73 7.7 1.81039052683CS9 (43%) + NIL_D_8
QMean=0.534
P1: (4 Cplx.) RUN1 pKi= 5.9
74 7.4 1.81039043402HIW (43%) + 7MP_D_4
QMean=0.496
P1: (4 Cplx.) RUN1 pKi= 6
75 6.3 1.81039045021M52 (43%) + P17_A_5
QMean=0.505
P2: (4 Cplx.) RUN0 pKi= 6.2
76 4.5 1.81039050061M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 6
77 6.3 1.81039045941OPL (38%) + P16_B_5
QMean=0.513
P2: (3 Cplx.) RUN2 pKi= 8
78 7.4 1.81039043353IK3 (43%) + 0LI_A_3
QMean=0.490
P4: (3 Cplx.) RUN2 pKi= 6
79 7.1 1.81039043363CS9 (43%) + NIL_D_8
QMean=0.534
P1: (6 Cplx.) RUN1 pKi= 6.1
80 8.2 1.81039044803QRI (43%) + 919_A_5
QMean=0.497
P1: (4 Cplx.) RUN1 pKi= 5.7
81 6.1 1.81039045931OPL (38%) + P16_B_5
QMean=0.513
P1: (5 Cplx.) RUN1 pKi= 8
82 7.8 1.81039052504I4E (39%) + 1BQ_A_2
QMean=0.500
P2: (3 Cplx.) RUN2 pKi= 7.5
83 5.1 1.81039045043VS0 (36%) + VS0_A_5
QMean=0.492
P2: (6 Cplx.) RUN2 pKi= 5.7
84 5.0 1.81039045043VS0 (36%) + VS0_A_5
QMean=0.492
P2: (6 Cplx.) RUN1 pKi= 5.7
85 8.9 1.81039044793IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (3 Cplx.) RUN0 pKi= 5.8
86 9.3 1.81039044803IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (3 Cplx.) RUN0 pKi= 5.7
87 6.4 1.81039055252Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (3 Cplx.) RUN1 pKi= 6.8
88 6.2 1.81039049121OPL (38%) + P16_B_5
QMean=0.513
P1: (4 Cplx.) RUN1 pKi= 6.8
89 8.4 1.81039043413IK3 (43%) + 0LI_A_3
QMean=0.490
P2: (3 Cplx.) RUN1 pKi= 6.7
90 5.7 1.91039049121OPL (38%) + P16_B_5
QMean=0.513
P2: (3 Cplx.) RUN2 pKi= 6.8
91 7.7 1.91039043333VS6 (36%) + VSH_B_10
QMean=0.461
P2: (4 Cplx.) RUN0 pKi= 5.9
92 7.7 1.91039052683IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (4 Cplx.) RUN2 pKi= 5.9
93 9.3 1.91039043542HIW (43%) + 7MP_D_4
QMean=0.496
P1: (6 Cplx.) RUN2 pKi= 6.8
94 7.1 1.91039043551FPU (43%) + PRC_D_4
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 6
95 8.4 1.91039043222HIW (43%) + 7MP_D_4
QMean=0.496
P2: (3 Cplx.) RUN2 pKi= 6.3
96 5.1 1.91039056751M52 (43%) + P17_A_5
QMean=0.505
P1: (6 Cplx.) RUN1 pKi= 7.1
97 6.8 1.91039042763KF4 (43%) + B90_B_4
QMean=0.498
P1: (4 Cplx.) RUN0 pKi= 5.8
98 6.4 1.91039056082Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (4 Cplx.) RUN1 pKi= 7.7
99 7.3 1.91039049063DK3 (43%) + SX7_B_5
QMean=0.503
P3: (3 Cplx.) RUN0 pKi= 6.6
100 7.7 1.91039042873IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (7 Cplx.) RUN1 pKi= 6
101 7.1 1.91039042941M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN1 pKi= 6.4
102 8.0 2.01039042873VS0 (36%) + VS0_A_5
QMean=0.492
P2: (3 Cplx.) RUN0 pKi= 6
103 7.6 2.01039043172HIW (43%) + 7MP_D_4
QMean=0.496
P1: (7 Cplx.) RUN1 pKi= 6.3
104 6.5 2.01039046041OPL (38%) + P16_B_5
QMean=0.513
P2: (3 Cplx.) RUN0 pKi= 8.1
105 7.6 2.01039052472HZI (43%) + JIN_B_4
QMean=0.527
P1: (3 Cplx.) RUN1 pKi= 7.3
106 6.4 2.01039042843VS0 (36%) + VS0_A_5
QMean=0.492
P3: (3 Cplx.) RUN2 pKi= 5.7
107 9.3 2.01039042892HIW (43%) + 7MP_D_4
QMean=0.496
P1: (7 Cplx.) RUN2 pKi= 5.8
108 7.8 2.01039056493VS0 (36%) + VS0_A_5
QMean=0.492
P1: (6 Cplx.) RUN2 pKi= 6.4
109 7.1 2.01039043411M52 (43%) + P17_A_5
QMean=0.505
P1: (3 Cplx.) RUN0 pKi= 6.7
110 6.6 2.01039041891M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 6.1
111 7.5 2.11039048563VS5 (36%) + VSG_A_3
QMean=0.507
P1: (4 Cplx.) RUN1 pKi= 6.5
112 7.6 2.11039046503KFA (43%) + B91_B_4
QMean=0.485
P1: (4 Cplx.) RUN0 pKi= 6.6
113 7.9 2.11039043542Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (3 Cplx.) RUN0 pKi= 6.8
114 6.2 2.11039056703OY3 (43%) + XY3_B_4
QMean=0.487
P1: (3 Cplx.) RUN2 pKi= 6.9
115 6.3 2.11039042021M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN0 pKi= 5.9
116 7.7 2.11039043353IK3 (43%) + 0LI_A_3
QMean=0.490
P3: (3 Cplx.) RUN0 pKi= 6
117 5.8 2.11039043361M52 (43%) + P17_A_5
QMean=0.505
P2: (3 Cplx.) RUN2 pKi= 6.1
118 6.5 2.11039043172Z60 (43%) + P3Y_A_2
QMean=0.528
P2: (3 Cplx.) RUN0 pKi= 6.3
119 5.8 2.11039045043DK3 (43%) + SX7_B_5
QMean=0.503
P1: (6 Cplx.) RUN0 pKi= 5.7
120 8.9 2.11039042893QRI (43%) + 919_A_5
QMean=0.497
P1: (8 Cplx.) RUN1 pKi= 5.8
121 6.4 2.11039043523MS9 (43%) + STI_B_9
QMean=0.482
P1: (5 Cplx.) RUN0 pKi= 6.3
122 8.3 2.11039052683IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (3 Cplx.) RUN0 pKi= 5.9
123 5.8 2.21039046013CS9 (43%) + NIL_D_8
QMean=0.534
P1: (3 Cplx.) RUN1 pKi= 6.9
124 6.1 2.21039042022HZI (43%) + JIN_B_4
QMean=0.527
P1: (3 Cplx.) RUN1 pKi= 5.9
125 5.9 2.21039042113CS9 (43%) + NIL_D_8
QMean=0.534
P1: (7 Cplx.) RUN0 pKi= 5.9
126 7.2 2.21039056031M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN2 pKi= 6.5
127 7.2 2.21039042941M52 (43%) + P17_A_5
QMean=0.505
P1: (5 Cplx.) RUN2 pKi= 6.4
128 6.6 2.21039046503KFA (43%) + B91_B_4
QMean=0.485
P1: (5 Cplx.) RUN1 pKi= 6.6
129 6.9 2.21039056031M52 (43%) + P17_A_5
QMean=0.505
P1: (6 Cplx.) RUN1 pKi= 6.5
130 9.7 2.21039047843CS9 (43%) + NIL_D_8
QMean=0.534
P1: (3 Cplx.) RUN0 pKi= 6
131 8.3 2.21039044801OPL (38%) + P16_B_5
QMean=0.513
P1: (4 Cplx.) RUN2 pKi= 5.7
132 6.1 2.31039043523CS9 (43%) + NIL_D_8
QMean=0.534
P1: (3 Cplx.) RUN2 pKi= 6.3
133 7.8 2.31039047173DK3 (43%) + SX7_B_5
QMean=0.503
P1: (4 Cplx.) RUN1 pKi= 6
134 7.5 2.31039042941M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN0 pKi= 6.4
135 5.3 2.31039045093VS2 (36%) + VSB_A_3
QMean=0.463
P2: (3 Cplx.) RUN2 pKi= 6.2
136 7.5 2.31039043343VS0 (36%) + VS0_A_5
QMean=0.492
P3: (3 Cplx.) RUN0 pKi= 5.9
137 7.9 2.31039041951FPU (43%) + PRC_D_4
QMean=0.505
P1: (10 Cplx.) RUN0 pKi= 6.3
138 6.2 2.31039043361M52 (43%) + P17_A_5
QMean=0.505
P2: (3 Cplx.) RUN0 pKi= 6.1
139 8.7 2.31039044172HIW (43%) + 7MP_D_4
QMean=0.496
P1: (3 Cplx.) RUN0 pKi= 6.3
140 6.0 2.41039049402HIW (43%) + 7MP_D_4
QMean=0.496
P1: (4 Cplx.) RUN2 pKi= 6.4
141 6.0 2.41039049403DK3 (43%) + SX7_B_5
QMean=0.503
P2: (4 Cplx.) RUN0 pKi= 6.4
142 7.4 2.41039049063IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (5 Cplx.) RUN1 pKi= 6.6
143 7.5 2.41039049043IK3 (43%) + 0LI_A_3
QMean=0.490
P1: (5 Cplx.) RUN1 pKi= 6.6
144 6.8 2.41039041932Z60 (43%) + P3Y_A_2
QMean=0.528
P1: (4 Cplx.) RUN2 pKi= 6.1
145 7.4 2.41039045673MS9 (43%) + STI_B_9
QMean=0.482
P1: (4 Cplx.) RUN1 pKi= 6.6
146 4.9 2.51039049871M52 (43%) + P17_A_5
QMean=0.505
P1: (4 Cplx.) RUN1 pKi= 5.8
147 5.6 2.51039056753MS9 (43%) + STI_B_9
QMean=0.482
P1: (6 Cplx.) RUN2 pKi= 7.1
148 4.8 2.51039053091OPL (38%) + P16_B_5
QMean=0.513
P3: (4 Cplx.) RUN2 pKi= 6
149 6.5 2.51039045942XYN (44%) + VX6_A_5
QMean=0.477
P2: (4 Cplx.) RUN0 pKi= 8
150 6.9 2.51039046493VS6 (36%) + VSH_B_10
QMean=0.461
P1: (4 Cplx.) RUN0 pKi= 6.9
151 8.1 2.51039047173CS9 (43%) + NIL_D_8
QMean=0.534
P1: (4 Cplx.) RUN2 pKi= 6
152 6.6 2.51039041934HCT (44%) + 18R_A_2
QMean=0.491
P1: (3 Cplx.) RUN1 pKi= 6.1
153 5.5 2.51039049873VS0 (36%) + VS0_A_5
QMean=0.492
P1: (4 Cplx.) RUN2 pKi= 5.8

Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.11



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