Screening Results : Docking based on all models from entry : KGP1_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 6.8 0.11039047492F7X (45%) + 4EA_C_3
QMean=0.520
P1: (9 Cplx.) RUN2 pKi= 7.5
2 6.9 0.11039046832F7X (45%) + 4EA_C_3
QMean=0.520
P1: (6 Cplx.) RUN2 pKi= 6.6
3 6.2 0.21039047492F7E (45%) + 2EA_C_3
QMean=0.553
P1: (8 Cplx.) RUN1 pKi= 7.5
4 6.5 0.21039047502F7X (45%) + 4EA_C_3
QMean=0.520
P1: (9 Cplx.) RUN2 pKi= 6.2
5 6.3 0.41039046832F7X (45%) + 4EA_C_3
QMean=0.520
P1: (5 Cplx.) RUN1 pKi= 6.6
6 6.4 0.41039044692UZV (45%) + SS5_A_3
QMean=0.518
P1: (12 Cplx.) RUN2 pKi= 6.6
7 6.9 0.51039054532OJF (45%) + 4PY_C_3
QMean=0.554
P2: (4 Cplx.) RUN2 pKi= 7.8
8 6.3 0.61039047502F7X (45%) + 4EA_C_3
QMean=0.520
P1: (8 Cplx.) RUN1 pKi= 6.2
9 8.1 0.71039044842UZV (45%) + SS5_A_3
QMean=0.518
P1: (7 Cplx.) RUN2 pKi= 6.6
10 7.2 0.71039049742F7E (45%) + 2EA_C_3
QMean=0.553
P1: (7 Cplx.) RUN2 pKi= 7.1
11 7.3 0.71039044842OJF (45%) + 4PY_C_3
QMean=0.554
P1: (5 Cplx.) RUN1 pKi= 6.6
12 7.1 0.71039045162OJF (45%) + 4PY_C_3
QMean=0.554
P1: (8 Cplx.) RUN1 pKi= 6.1
13 6.2 0.71039044692UZV (45%) + SS5_A_3
QMean=0.518
P1: (9 Cplx.) RUN1 pKi= 6.6
14 6.8 0.81039044782F7E (45%) + 2EA_C_3
QMean=0.553
P1: (7 Cplx.) RUN2 pKi= 6.1
15 6.5 0.81039049742F7E (45%) + 2EA_C_3
QMean=0.553
P2: (7 Cplx.) RUN1 pKi= 7.1
16 7.1 0.81039044752F7E (45%) + 2EA_C_3
QMean=0.553
P1: (5 Cplx.) RUN2 pKi= 6.6
17 7.1 0.91039044782F7E (45%) + 2EA_C_3
QMean=0.553
P1: (9 Cplx.) RUN1 pKi= 6.1
18 5.6 0.91039049702F7E (45%) + 2EA_C_3
QMean=0.553
P2: (9 Cplx.) RUN2 pKi= 6.2
19 8.6 0.91039044802UZV (45%) + SS5_A_3
QMean=0.518
P1: (12 Cplx.) RUN2 pKi= 8.1
20 6.8 0.91039044752F7E (45%) + 2EA_C_3
QMean=0.553
P1: (8 Cplx.) RUN1 pKi= 6.6
21 6.9 0.91039045182OJF (45%) + 4PY_C_3
QMean=0.554
P1: (10 Cplx.) RUN2 pKi= 6.3
22 8.7 0.91039044802UZV (45%) + SS5_A_3
QMean=0.518
P1: (12 Cplx.) RUN0 pKi= 8.1
23 7.4 1.01039045182OJF (45%) + 4PY_C_3
QMean=0.554
P1: (10 Cplx.) RUN1 pKi= 6.3
24 7.3 1.01039054532OH0 (45%) + 2PY_C_3
QMean=0.551
P3: (3 Cplx.) RUN1 pKi= 7.8
25 6.6 1.01039049682OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (7 Cplx.) RUN2 pKi= 7.1
26 7.3 1.01039045152OJF (45%) + 4PY_C_3
QMean=0.554
P1: (6 Cplx.) RUN1 pKi= 7.1
27 5.6 1.01039049662F7E (45%) + 2EA_C_3
QMean=0.553
P1: (7 Cplx.) RUN2 pKi= 7.3
28 6.9 1.11039045182OJF (45%) + 4PY_C_3
QMean=0.554
P1: (8 Cplx.) RUN0 pKi= 6.3
29 7.4 1.11039044642OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN1 pKi= 6.5
30 7.5 1.11039044682OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (6 Cplx.) RUN2 pKi= 6.8
31 6.4 1.11039049682UZV (45%) + SS5_A_3
QMean=0.518
P1: (7 Cplx.) RUN1 pKi= 7.1
32 7.9 1.11039044792UZV (45%) + SS5_A_3
QMean=0.518
P2: (5 Cplx.) RUN0 pKi= 8
33 7.4 1.11039052372F7X (45%) + 4EA_C_3
QMean=0.520
P1: (9 Cplx.) RUN1 pKi= 7.4
34 7.2 1.11039046832F7E (45%) + 2EA_C_3
QMean=0.553
P1: (4 Cplx.) RUN0 pKi= 6.6
35 7.4 1.11039044782F7E (45%) + 2EA_C_3
QMean=0.553
P1: (5 Cplx.) RUN0 pKi= 6.1
36 8.3 1.11039044842UZV (45%) + SS5_A_3
QMean=0.518
P1: (8 Cplx.) RUN0 pKi= 6.6
37 6.4 1.11039045602UZV (45%) + SS5_A_3
QMean=0.518
P1: (8 Cplx.) RUN2 pKi= 5.8
38 6.7 1.21039044832OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN2 pKi= 6.6
39 7.5 1.21039047382UZT (45%) + SS3_A_3
QMean=0.526
P1: (7 Cplx.) RUN0 pKi= 5.9
40 6.5 1.21039045172OJF (45%) + 4PY_C_3
QMean=0.554
P1: (9 Cplx.) RUN2 pKi= 6.2
41 6.6 1.21039044832OJF (45%) + 4PY_C_3
QMean=0.554
P1: (11 Cplx.) RUN0 pKi= 6.6
42 7.5 1.21039051452OJF (45%) + 4PY_C_3
QMean=0.554
P1: (6 Cplx.) RUN2 pKi= 7.1
43 7.1 1.21039044652OJF (45%) + 4PY_C_3
QMean=0.554
P1: (11 Cplx.) RUN2 pKi= 8
44 7.1 1.21039044662OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN1 pKi= 6.5
45 6.5 1.31039045552F7E (45%) + 2EA_C_3
QMean=0.553
P1: (13 Cplx.) RUN2 pKi= 9
46 6.7 1.31039046572OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (7 Cplx.) RUN2 pKi= 8.9
47 7.0 1.31039042062F7E (45%) + 2EA_C_3
QMean=0.553
P2: (7 Cplx.) RUN2 pKi= 7
48 7.2 1.31039044662OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (10 Cplx.) RUN2 pKi= 6.5
49 7.5 1.31039044772UZW (45%) + SS4_E_3
QMean=0.531
P1: (7 Cplx.) RUN1 pKi= 6.5
50 7.2 1.31039044652OJF (45%) + 4PY_C_3
QMean=0.554
P1: (9 Cplx.) RUN0 pKi= 8
51 7.0 1.31039045563OVV (45%) + 1SB_A_3
QMean=0.264
P1: (10 Cplx.) RUN1 pKi= 8.6
52 7.4 1.31039044752F7E (45%) + 2EA_C_3
QMean=0.553
P1: (5 Cplx.) RUN0 pKi= 6.6
53 7.2 1.31039044652OJF (45%) + 4PY_C_3
QMean=0.554
P1: (8 Cplx.) RUN1 pKi= 8
54 6.5 1.31039045522F7E (45%) + 2EA_C_3
QMean=0.553
P1: (14 Cplx.) RUN2 pKi= 7.8
55 6.3 1.31039045622F7E (45%) + 2EA_C_3
QMean=0.553
P1: (14 Cplx.) RUN1 pKi= 7.4
56 5.3 1.31039049702OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (9 Cplx.) RUN1 pKi= 6.2
57 7.7 1.31039044802F7E (45%) + 2EA_C_3
QMean=0.553
P1: (7 Cplx.) RUN1 pKi= 8.1
58 7.3 1.31039044682UZU (45%) + L20_E_3
QMean=0.499
P1: (9 Cplx.) RUN1 pKi= 6.8
59 6.8 1.31039045572F7E (45%) + 2EA_C_3
QMean=0.553
P1: (9 Cplx.) RUN2 pKi= 6
60 6.4 1.31039045622F7E (45%) + 2EA_C_3
QMean=0.553
P1: (15 Cplx.) RUN2 pKi= 7.4
61 7.5 1.31039047382UZV (45%) + SS5_A_3
QMean=0.518
P1: (6 Cplx.) RUN2 pKi= 5.9
62 7.5 1.31039052372F7E (45%) + 2EA_C_3
QMean=0.553
P1: (8 Cplx.) RUN2 pKi= 7.4
63 7.2 1.31039044722UZV (45%) + SS5_A_3
QMean=0.518
P1: (12 Cplx.) RUN0 pKi= 6.3
64 7.0 1.31039044642OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (8 Cplx.) RUN2 pKi= 6.5
65 7.8 1.31039044792UZU (45%) + L20_E_3
QMean=0.499
P1: (6 Cplx.) RUN1 pKi= 8
66 5.8 1.41039044822OJF (45%) + 4PY_C_3
QMean=0.554
P2: (5 Cplx.) RUN0 pKi= 6.9
67 8.3 1.41039044632OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (7 Cplx.) RUN2 pKi= 8.1
68 8.0 1.41039051452OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (7 Cplx.) RUN1 pKi= 7.1
69 6.3 1.41039045162OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (4 Cplx.) RUN2 pKi= 6.1
70 6.6 1.41039045612F7E (45%) + 2EA_C_3
QMean=0.553
P1: (6 Cplx.) RUN2 pKi= 7.7
71 5.5 1.41039044822OJF (45%) + 4PY_C_3
QMean=0.554
P1: (9 Cplx.) RUN1 pKi= 6.9
72 6.5 1.41039045522F7E (45%) + 2EA_C_3
QMean=0.553
P1: (11 Cplx.) RUN1 pKi= 7.8
73 6.6 1.41039049723TXO (37%) + 07U_A_2
QMean=0.453
P1: (7 Cplx.) RUN2 pKi= 5.8
74 6.2 1.41039049713TXO (37%) + 07U_A_2
QMean=0.453
P1: (8 Cplx.) RUN2 pKi= 6.6
75 5.9 1.41039044822UZV (45%) + SS5_A_3
QMean=0.518
P1: (9 Cplx.) RUN2 pKi= 6.9
76 7.1 1.41039044772OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (6 Cplx.) RUN2 pKi= 6.5
77 5.3 1.41039052122OJF (45%) + 4PY_C_3
QMean=0.554
P1: (11 Cplx.) RUN1 pKi= 6.1
78 6.3 1.41039049083OVV (45%) + 1SB_A_3
QMean=0.264
P1: (10 Cplx.) RUN2 pKi= 6.4
79 7.0 1.41039044642OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (6 Cplx.) RUN0 pKi= 6.5
80 7.6 1.41039052372F7E (45%) + 2EA_C_3
QMean=0.553
P1: (9 Cplx.) RUN0 pKi= 7.4
81 7.0 1.41039044662OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN0 pKi= 6.5
82 5.7 1.41039049713TXO (37%) + 07U_A_2
QMean=0.453
P1: (10 Cplx.) RUN1 pKi= 6.6
83 7.2 1.41039042063OW3 (45%) + SMY_A_3
QMean=0.572
P1: (9 Cplx.) RUN1 pKi= 7
84 6.8 1.41039047492F7X (45%) + 4EA_C_3
QMean=0.520
P1: (4 Cplx.) RUN0 pKi= 7.5
85 4.7 1.44QX5_CMP4IAC (45%) + ACP_A_5
QMean=0.579
P1: (11 Cplx.) VALID2 -= -
86 8.9 1.41039054532UZV (45%) + SS5_A_3
QMean=0.518
P1: (7 Cplx.) RUN0 pKi= 7.8
87 6.4 1.41039045542F7E (45%) + 2EA_C_3
QMean=0.553
P2: (6 Cplx.) RUN2 pKi= 8.9
88 6.7 1.41039045653OVV (45%) + 1SB_A_3
QMean=0.264
P1: (12 Cplx.) RUN2 pKi= 8.1
89 6.8 1.41039051202F7E (45%) + 2EA_C_3
QMean=0.553
P2: (5 Cplx.) RUN2 pKi= 7.6
90 6.8 1.41039051202F7E (45%) + 2EA_C_3
QMean=0.553
P1: (5 Cplx.) RUN1 pKi= 7.6
91 6.7 1.51039051212UZW (45%) + SS4_E_3
QMean=0.531
P2: (5 Cplx.) RUN0 pKi= 6.7
92 6.9 1.51039051192F7E (45%) + 2EA_C_3
QMean=0.553
P1: (10 Cplx.) RUN2 pKi= 6.5
93 6.5 1.51039049742UZW (45%) + SS4_E_3
QMean=0.531
P2: (4 Cplx.) RUN0 pKi= 7.1
94 6.1 1.51039045742GU8 (45%) + 796_A_3
QMean=0.292
P1: (6 Cplx.) RUN1 pKi= 6.7
95 7.4 1.51039045663OVV (45%) + 1SB_A_3
QMean=0.264
P1: (15 Cplx.) RUN2 pKi= 7.5
96 7.2 1.51039044722UW4 (45%) + L15_A_3
QMean=0.298
P1: (12 Cplx.) RUN2 pKi= 6.3
97 6.1 1.51039051441SVG (45%) + I04_C_3
QMean=0.302
P1: (8 Cplx.) RUN0 pKi= 7.5
98 6.8 1.51039045152GU8 (45%) + 796_A_3
QMean=0.292
P1: (9 Cplx.) RUN2 pKi= 7.1
99 5.9 1.51039045594GV1 (39%) + 0XZ_A_2
QMean=0.579
P1: (6 Cplx.) RUN1 pKi= 7.2
100 6.6 1.51039045602UZW (45%) + SS4_E_3
QMean=0.531
P1: (10 Cplx.) RUN1 pKi= 5.8
101 6.3 1.51039049713TXO (37%) + 07U_A_2
QMean=0.453
P2: (4 Cplx.) RUN0 pKi= 6.6
102 6.2 1.51039045172UZV (45%) + SS5_A_3
QMean=0.518
P1: (14 Cplx.) RUN1 pKi= 6.2
103 7.0 1.51039045583OVV (45%) + 1SB_A_3
QMean=0.264
P1: (9 Cplx.) RUN2 pKi= 6.7
104 6.2 1.61039049723TXO (37%) + 07U_A_2
QMean=0.453
P1: (11 Cplx.) RUN1 pKi= 5.8
105 6.6 1.61039050342OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (3 Cplx.) RUN2 pKi= 6.4
106 7.5 1.61039044772UZV (45%) + SS5_A_3
QMean=0.518
P2: (3 Cplx.) RUN0 pKi= 6.5
107 6.5 1.61039045162OH0 (45%) + 2PY_C_3
QMean=0.551
P3: (3 Cplx.) RUN0 pKi= 6.1
108 7.8 1.61039047382UW4 (45%) + L15_A_3
QMean=0.298
P1: (5 Cplx.) RUN1 pKi= 5.9
109 6.1 1.61039042032GU8 (45%) + 796_A_3
QMean=0.292
P2: (5 Cplx.) RUN2 pKi= 7
110 6.3 1.61039045172OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN0 pKi= 6.2
111 6.3 1.61039045572UZV (45%) + SS5_A_3
QMean=0.518
P2: (5 Cplx.) RUN1 pKi= 6
112 6.9 1.61039045802UZW (45%) + SS4_E_3
QMean=0.531
P1: (10 Cplx.) RUN1 pKi= 5.9
113 8.3 1.61039044632UZU (45%) + L20_E_3
QMean=0.499
P1: (4 Cplx.) RUN1 pKi= 8.1
114 6.5 1.61039045631XH5 (45%) + R68_C_3
QMean=0.301
P1: (16 Cplx.) RUN1 pKi= 7
115 6.5 1.61039045592UZW (45%) + SS4_E_3
QMean=0.531
P2: (6 Cplx.) RUN2 pKi= 7.2
116 6.8 1.61039045152GU8 (45%) + 796_A_3
QMean=0.292
P1: (7 Cplx.) RUN0 pKi= 7.1
117 6.3 1.61039045812VO0 (45%) + M03_A_6
QMean=0.295
P1: (8 Cplx.) RUN1 pKi= 6.2
118 6.7 1.61039045631XH5 (45%) + R68_C_3
QMean=0.301
P1: (15 Cplx.) RUN2 pKi= 7
119 7.0 1.61039041922UZV (45%) + SS5_A_3
QMean=0.518
P1: (6 Cplx.) RUN2 pKi= 6.7
120 6.1 1.61039051441XH8 (45%) + R55_C_3
QMean=0.288
P1: (10 Cplx.) RUN2 pKi= 7.5
121 7.0 1.61039045563OVV (45%) + 1SB_A_3
QMean=0.264
P1: (10 Cplx.) RUN0 pKi= 8.6
122 6.8 1.61039045572F7E (45%) + 2EA_C_3
QMean=0.553
P1: (4 Cplx.) RUN0 pKi= 6
123 6.5 1.61039051213OVV (45%) + 1SB_A_3
QMean=0.264
P1: (10 Cplx.) RUN2 pKi= 6.7
124 6.9 1.61039045653OVV (45%) + 1SB_A_3
QMean=0.264
P1: (8 Cplx.) RUN0 pKi= 8.1
125 6.7 1.61039049723TXO (37%) + 07U_A_2
QMean=0.453
P1: (5 Cplx.) RUN0 pKi= 5.8
126 6.9 1.61039046582OJF (45%) + 4PY_C_3
QMean=0.554
P2: (6 Cplx.) RUN0 pKi= 8.3
127 6.3 1.61039045661XH5 (45%) + R68_C_3
QMean=0.301
P1: (5 Cplx.) RUN1 pKi= 7.5
128 6.1 1.61039045582UZU (45%) + L20_E_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 6.7
129 7.2 1.61039051192UZW (45%) + SS4_E_3
QMean=0.531
P1: (12 Cplx.) RUN1 pKi= 6.5
130 7.0 1.61039041922UZV (45%) + SS5_A_3
QMean=0.518
P1: (10 Cplx.) RUN0 pKi= 6.7
131 6.6 1.71039042022OJF (45%) + 4PY_C_3
QMean=0.554
P1: (10 Cplx.) RUN1 pKi= 6.8
132 6.6 1.71039045592F7E (45%) + 2EA_C_3
QMean=0.553
P1: (9 Cplx.) RUN0 pKi= 7.2
133 6.8 1.71039050342OJF (45%) + 4PY_C_3
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.4
134 6.8 1.71039049853TXO (37%) + 07U_A_2
QMean=0.453
P3: (3 Cplx.) RUN0 pKi= 6.1
135 6.9 1.71039049883TXO (37%) + 07U_A_2
QMean=0.453
P1: (7 Cplx.) RUN2 pKi= 6.3
136 5.4 1.71039045102OJF (45%) + 4PY_C_3
QMean=0.554
P1: (6 Cplx.) RUN2 pKi= 7.5
137 5.8 1.71039045102OJF (45%) + 4PY_C_3
QMean=0.554
P1: (8 Cplx.) RUN1 pKi= 7.5
138 5.6 1.71039049702OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (8 Cplx.) RUN0 pKi= 6.2
139 6.8 1.71039041922OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (6 Cplx.) RUN1 pKi= 6.7
140 6.9 1.71039055983TXO (37%) + 07U_A_2
QMean=0.453
P1: (11 Cplx.) RUN2 pKi= 6.1
141 5.5 1.71039051673TXO (37%) + 07U_A_2
QMean=0.453
P2: (6 Cplx.) RUN2 pKi= 7.7
142 5.8 1.71039049511XH8 (45%) + R55_C_3
QMean=0.288
P1: (10 Cplx.) RUN2 pKi= 6.6
143 4.8 1.71039049521XH8 (45%) + R55_C_3
QMean=0.288
P1: (10 Cplx.) RUN2 pKi= 7.5
144 7.1 1.71039045583OVV (45%) + 1SB_A_3
QMean=0.264
P1: (11 Cplx.) RUN0 pKi= 6.7
145 6.9 1.71039042022GU8 (45%) + 796_A_3
QMean=0.292
P2: (6 Cplx.) RUN0 pKi= 6.8
146 7.1 1.71039051192UZV (45%) + SS5_A_3
QMean=0.518
P1: (8 Cplx.) RUN0 pKi= 6.5
147 6.1 1.81039046592UZW (45%) + SS4_E_3
QMean=0.531
P1: (8 Cplx.) RUN2 pKi= 7.3
148 6.9 1.81039042032VO0 (45%) + M03_A_6
QMean=0.295
P1: (9 Cplx.) RUN1 pKi= 7
149 5.4 1.81039046883TXO (37%) + 07U_A_2
QMean=0.453
P2: (5 Cplx.) RUN2 pKi= 6.5
150 7.1 1.81039047502UZU (45%) + L20_E_3
QMean=0.499
P1: (6 Cplx.) RUN0 pKi= 6.2
151 6.6 1.81039045631XH5 (45%) + R68_C_3
QMean=0.301
P1: (15 Cplx.) RUN0 pKi= 7
152 5.9 1.81039049122ERZ (45%) + HFS_C_3
QMean=0.548
P3: (3 Cplx.) RUN2 pKi= 6.6
153 6.4 1.81039049551XH8 (45%) + R55_C_3
QMean=0.288
P1: (10 Cplx.) RUN1 pKi= 6.9
154 8.1 1.81039051452UZV (45%) + SS5_A_3
QMean=0.518
P1: (7 Cplx.) RUN0 pKi= 7.1
155 6.5 1.81039045741XH5 (45%) + R68_C_3
QMean=0.301
P1: (10 Cplx.) RUN2 pKi= 6.7
156 6.4 1.81039049662OJF (45%) + 4PY_C_3
QMean=0.554
P2: (4 Cplx.) RUN0 pKi= 7.3
157 7.7 1.81039056741SVH (45%) + I08_C_3
QMean=0.285
P2: (3 Cplx.) RUN1 pKi= 6.8
158 6.9 1.81039044722UW4 (45%) + L15_A_3
QMean=0.298
P1: (12 Cplx.) RUN1 pKi= 6.3
159 6.4 1.81039049082GU8 (45%) + 796_A_3
QMean=0.292
P1: (9 Cplx.) RUN0 pKi= 6.4
160 6.8 1.81039045562UZW (45%) + SS4_E_3
QMean=0.531
P1: (15 Cplx.) RUN2 pKi= 8.6
161 6.4 1.81039053552UZT (45%) + SS3_A_3
QMean=0.526
P2: (3 Cplx.) RUN2 pKi= 5.9
162 6.2 1.81039045652UW4 (45%) + L15_A_3
QMean=0.298
P1: (4 Cplx.) RUN1 pKi= 8.1
163 5.1 1.81039047291XH8 (45%) + R55_C_3
QMean=0.288
P2: (6 Cplx.) RUN0 pKi= 7.1
164 5.3 1.81039051673TXO (37%) + 07U_A_2
QMean=0.453
P1: (8 Cplx.) RUN0 pKi= 7.7
165 7.5 1.81039045663OVV (45%) + 1SB_A_3
QMean=0.264
P1: (9 Cplx.) RUN0 pKi= 7.5
166 7.1 1.81039045532VO0 (45%) + M03_A_6
QMean=0.295
P1: (15 Cplx.) RUN1 pKi= 6.9
167 4.5 1.81039049551XH5 (45%) + R68_C_3
QMean=0.301
P1: (4 Cplx.) RUN0 pKi= 6.9
168 5.8 1.81039049511XH6 (45%) + R94_C_3
QMean=0.319
P1: (5 Cplx.) RUN0 pKi= 6.6
169 6.7 1.81039046551SVH (45%) + I08_C_3
QMean=0.285
P1: (13 Cplx.) RUN1 pKi= 6.8
170 6.7 1.91039049511SVG (45%) + I04_C_3
QMean=0.302
P1: (10 Cplx.) RUN1 pKi= 6.6
171 5.1 1.91039047291SVG (45%) + I04_C_3
QMean=0.302
P1: (10 Cplx.) RUN2 pKi= 7.1
172 6.9 1.91039052631XH8 (45%) + R55_C_3
QMean=0.288
P1: (10 Cplx.) RUN1 pKi= 6.9
173 6.1 1.91039044832OJF (45%) + 4PY_C_3
QMean=0.554
P1: (8 Cplx.) RUN1 pKi= 6.6
174 3.3 1.94KU7_PCG4IAC (45%) + ACP_A_5
QMean=0.579
P1: (4 Cplx.) VALID2 -= -
175 5.5 1.91039051673TXO (37%) + 07U_A_2
QMean=0.453
P2: (8 Cplx.) RUN1 pKi= 7.7
176 6.6 1.91039042022UZW (45%) + SS4_E_3
QMean=0.531
P1: (8 Cplx.) RUN2 pKi= 6.8
177 6.9 1.91039046573OVV (45%) + 1SB_A_3
QMean=0.264
P1: (6 Cplx.) RUN0 pKi= 8.9
178 5.5 1.91039046883TXO (37%) + 07U_A_2
QMean=0.453
P1: (6 Cplx.) RUN1 pKi= 6.5
179 6.7 1.91039055983TXO (37%) + 07U_A_2
QMean=0.453
P1: (6 Cplx.) RUN1 pKi= 6.1
180 7.2 1.91039056492UZV (45%) + SS5_A_3
QMean=0.518
P3: (4 Cplx.) RUN1 pKi= 7.4
181 6.6 1.91039049521XH5 (45%) + R68_C_3
QMean=0.301
P1: (11 Cplx.) RUN1 pKi= 7.5
182 4.7 1.91039049521VEB (45%) + I05_A_3
QMean=0.300
P2: (3 Cplx.) RUN0 pKi= 7.5
183 6.1 1.91039056762C1B (45%) + CQP_A_3
QMean=0.281
P1: (8 Cplx.) RUN2 pKi= 6
184 5.5 1.91039046551VEB (45%) + I05_A_3
QMean=0.300
P1: (6 Cplx.) RUN2 pKi= 6.8
185 6.5 1.91039045602OJF (45%) + 4PY_C_3
QMean=0.554
P2: (4 Cplx.) RUN0 pKi= 5.8
186 6.3 1.91039049083TXO (37%) + 07U_A_2
QMean=0.453
P1: (3 Cplx.) RUN1 pKi= 6.4
187 7.0 1.91039045542GU8 (45%) + 796_A_3
QMean=0.292
P1: (14 Cplx.) RUN0 pKi= 8.9
188 6.9 1.91039049843TXO (37%) + 07U_A_2
QMean=0.453
P1: (7 Cplx.) RUN2 pKi= 6.1
189 7.4 1.91039042062VO0 (45%) + M03_A_6
QMean=0.295
P1: (15 Cplx.) RUN0 pKi= 7
190 7.0 1.91039045542GU8 (45%) + 796_A_3
QMean=0.292
P1: (12 Cplx.) RUN1 pKi= 8.9
191 7.0 1.91039045552GU8 (45%) + 796_A_3
QMean=0.292
P1: (11 Cplx.) RUN1 pKi= 9
192 6.5 1.91039051441VEB (45%) + I05_A_3
QMean=0.300
P1: (14 Cplx.) RUN1 pKi= 7.5
193 6.0 1.91039043331XH8 (45%) + R55_C_3
QMean=0.288
P2: (4 Cplx.) RUN2 pKi= 6.1
194 7.2 2.01039051202UZW (45%) + SS4_E_3
QMean=0.531
P1: (6 Cplx.) RUN0 pKi= 7.6
195 7.8 2.01039056742OJF (45%) + 4PY_C_3
QMean=0.554
P1: (4 Cplx.) RUN0 pKi= 6.8
196 6.9 2.01039045524AXA (45%) + RKD_A_3
QMean=0.290
P1: (12 Cplx.) RUN0 pKi= 7.8
197 5.9 2.01039056502VO0 (45%) + M03_A_6
QMean=0.295
P1: (10 Cplx.) RUN1 pKi= 5.8
198 5.8 2.01039051212UZU (45%) + L20_E_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 6.7
199 7.4 2.01039044682OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (10 Cplx.) RUN0 pKi= 6.8
200 6.8 2.01039044693OVV (45%) + 1SB_A_3
QMean=0.264
P1: (11 Cplx.) RUN0 pKi= 6.6
201 6.5 2.01039049851ATP (45%) + ATP_E_5
QMean=0.563
P2: (4 Cplx.) RUN1 pKi= 6.1
202 8.5 2.01039044632UZU (45%) + L20_E_3
QMean=0.499
P1: (6 Cplx.) RUN0 pKi= 8.1
203 5.3 2.01039055092VO0 (45%) + M03_A_6
QMean=0.295
P1: (10 Cplx.) RUN1 pKi= 6
204 6.5 2.01039049841ATP (45%) + ATP_E_5
QMean=0.563
P3: (4 Cplx.) RUN1 pKi= 6.1
205 7.6 2.01039044792UW4 (45%) + L15_A_3
QMean=0.298
P1: (9 Cplx.) RUN2 pKi= 8
206 5.9 2.01039056143TXO (37%) + 07U_A_2
QMean=0.453
P3: (4 Cplx.) RUN1 pKi= 6.2
207 5.0 2.01039056141Q8U (45%) + H52_A_3
QMean=0.292
P2: (3 Cplx.) RUN2 pKi= 6.2
208 6.8 2.01039041892VO0 (45%) + M03_A_6
QMean=0.295
P1: (8 Cplx.) RUN0 pKi= 7
209 7.3 2.01039055412F7E (45%) + 2EA_C_3
QMean=0.553
P3: (3 Cplx.) RUN2 pKi= 5.9
210 7.1 2.01039045053L9M (45%) + L9M_B_6
QMean=0.299
P1: (3 Cplx.) RUN1 pKi= 6.2
211 6.3 2.11039046582VO0 (45%) + M03_A_6
QMean=0.295
P1: (11 Cplx.) RUN2 pKi= 8.3
212 7.2 2.11039045614GV1 (39%) + 0XZ_A_2
QMean=0.579
P1: (8 Cplx.) RUN0 pKi= 7.7
213 6.0 2.11039043402F7E (45%) + 2EA_C_3
QMean=0.553
P3: (3 Cplx.) RUN1 pKi= 5.8
214 7.1 2.11039045552GU8 (45%) + 796_A_3
QMean=0.292
P1: (10 Cplx.) RUN0 pKi= 9
215 6.0 2.11039052631VEB (45%) + I05_A_3
QMean=0.300
P1: (11 Cplx.) RUN2 pKi= 6.9
216 6.8 2.11039042032OJF (45%) + 4PY_C_3
QMean=0.554
P1: (10 Cplx.) RUN0 pKi= 7
217 6.6 2.11039042042UVX (45%) + GVH_A_3
QMean=0.281
P1: (8 Cplx.) RUN1 pKi= 6.3
218 6.2 2.11039041913TXO (37%) + 07U_A_2
QMean=0.453
P1: (13 Cplx.) RUN0 pKi= 7.9
219 5.9 2.11039045613TXO (37%) + 07U_A_2
QMean=0.453
P2: (3 Cplx.) RUN1 pKi= 7.7
220 6.7 2.11039049532VO0 (45%) + M03_A_6
QMean=0.295
P3: (4 Cplx.) RUN2 pKi= 6.9
221 7.2 2.11039041932VO0 (45%) + M03_A_6
QMean=0.295
P1: (6 Cplx.) RUN2 pKi= 7
222 6.3 2.11039053562UZT (45%) + SS3_A_3
QMean=0.526
P2: (3 Cplx.) RUN2 pKi= 5.8
223 7.0 2.11039049682F7Z (45%) + 6EA_C_3
QMean=0.527
P1: (5 Cplx.) RUN0 pKi= 7.1
224 6.9 2.11039045622GU8 (45%) + 796_A_3
QMean=0.292
P1: (13 Cplx.) RUN0 pKi= 7.4
225 6.0 2.11039041912OJF (45%) + 4PY_C_3
QMean=0.554
P1: (12 Cplx.) RUN1 pKi= 7.9
226 6.7 2.11039046582GU8 (45%) + 796_A_3
QMean=0.292
P1: (7 Cplx.) RUN1 pKi= 8.3
227 7.1 2.11039053553TXO (37%) + 07U_A_2
QMean=0.453
P2: (3 Cplx.) RUN0 pKi= 5.9
228 6.3 2.11039056763MVJ (45%) + XFE_A_7
QMean=0.250
P1: (10 Cplx.) RUN0 pKi= 6
229 7.2 2.11039041932UZV (45%) + SS5_A_3
QMean=0.518
P1: (9 Cplx.) RUN1 pKi= 7
230 7.0 2.11039049883TXO (37%) + 07U_A_2
QMean=0.453
P1: (8 Cplx.) RUN1 pKi= 6.3
231 6.7 2.11039041972OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (7 Cplx.) RUN0 pKi= 6.1
232 7.2 2.11039041892UZV (45%) + SS5_A_3
QMean=0.518
P1: (8 Cplx.) RUN1 pKi= 7
233 6.1 2.11039049663OVV (45%) + 1SB_A_3
QMean=0.264
P1: (12 Cplx.) RUN1 pKi= 7.3
234 6.5 2.21039045742UZU (45%) + L20_E_3
QMean=0.499
P3: (5 Cplx.) RUN0 pKi= 6.7
235 7.4 2.21039045922UZT (45%) + SS3_A_3
QMean=0.526
P1: (6 Cplx.) RUN2 pKi= 5.9
236 7.1 2.21039041932VO0 (45%) + M03_A_6
QMean=0.295
P1: (6 Cplx.) RUN0 pKi= 7
237 5.7 2.21039045132OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (3 Cplx.) RUN2 pKi= 7
238 7.2 2.21039042042VO0 (45%) + M03_A_6
QMean=0.295
P1: (7 Cplx.) RUN0 pKi= 6.3
239 6.9 2.21039050553OWP (45%) + 2SB_A_3
QMean=0.269
P3: (3 Cplx.) RUN2 pKi= 7
240 7.0 2.21039042042VO0 (45%) + M03_A_6
QMean=0.295
P1: (7 Cplx.) RUN2 pKi= 6.3
241 6.1 2.21039055782UZV (45%) + SS5_A_3
QMean=0.518
P1: (5 Cplx.) RUN2 pKi= 6.2
242 6.9 2.21039050553OVV (45%) + 1SB_A_3
QMean=0.264
P2: (4 Cplx.) RUN0 pKi= 7
243 6.7 2.21039041892OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (5 Cplx.) RUN2 pKi= 7
244 6.7 2.21039041972OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (9 Cplx.) RUN1 pKi= 6.1
245 4.8 2.21039048872OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN2 pKi= 5.8
246 4.7 2.21039046642JDT (45%) + I5S_A_3
QMean=0.259
P1: (9 Cplx.) RUN1 pKi= 5.9
247 5.7 2.21039052122VO0 (45%) + M03_A_6
QMean=0.295
P1: (6 Cplx.) RUN0 pKi= 6.1
248 6.2 2.21039046572UZV (45%) + SS5_A_3
QMean=0.518
P1: (7 Cplx.) RUN1 pKi= 8.9
249 6.6 2.21039041972OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (9 Cplx.) RUN2 pKi= 6.1
250 7.8 2.21039045922UZT (45%) + SS3_A_3
QMean=0.526
P1: (4 Cplx.) RUN0 pKi= 5.9
251 8.0 2.31039045132UZU (45%) + L20_E_3
QMean=0.499
P1: (5 Cplx.) RUN1 pKi= 7
252 6.8 2.31039045053L9M (45%) + L9M_B_6
QMean=0.299
P3: (3 Cplx.) RUN2 pKi= 6.2
253 6.8 2.31039055782OH0 (45%) + 2PY_C_3
QMean=0.551
P1: (6 Cplx.) RUN1 pKi= 6.2
254 6.5 2.31039054882UZW (45%) + SS4_E_3
QMean=0.531
P1: (4 Cplx.) RUN1 pKi= 6.4
255 4.8 2.34QX5_CMP3AGL (45%) + A03_A_3
QMean=0.277
P1: (6 Cplx.) VALID0 -= -
256 7.0 2.31039055772OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (5 Cplx.) RUN2 pKi= 5.8
257 8.0 2.31039045534AXA (45%) + RKD_A_3
QMean=0.290
P1: (9 Cplx.) RUN0 pKi= 6.9
258 6.8 2.31039045113L9M (45%) + L9M_B_6
QMean=0.299
P4: (3 Cplx.) RUN1 pKi= 6.5
259 7.2 2.31039055983TXO (37%) + 07U_A_2
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 6.1
260 7.3 2.31039055412OJF (45%) + 4PY_C_3
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 5.9
261 5.7 2.41039048592F7E (45%) + 2EA_C_3
QMean=0.553
P2: (3 Cplx.) RUN1 pKi= 6.1
262 5.7 2.41039052191VEB (45%) + I05_A_3
QMean=0.300
P1: (4 Cplx.) RUN1 pKi= 5.9
263 6.5 2.41039046594GV1 (39%) + 0XZ_A_2
QMean=0.579
P1: (9 Cplx.) RUN1 pKi= 7.3
264 6.7 2.41039045022UZW (45%) + SS4_E_3
QMean=0.531
P1: (13 Cplx.) RUN0 pKi= 5.9
265 5.4 2.41039048591XH5 (45%) + R68_C_3
QMean=0.301
P1: (5 Cplx.) RUN2 pKi= 6.1
266 7.5 2.41039049602F7E (45%) + 2EA_C_3
QMean=0.553
P1: (8 Cplx.) RUN0 pKi= 8.2
267 6.1 2.41039043553AGL (45%) + A03_A_3
QMean=0.277
P2: (3 Cplx.) RUN0 pKi= 6.8
268 4.6 2.41039056503AGM (45%) + A67_A_2
QMean=0.231
P1: (4 Cplx.) RUN2 pKi= 5.8
269 5.4 2.41039043553AGL (45%) + A03_A_3
QMean=0.277
P1: (6 Cplx.) RUN1 pKi= 6.8
270 6.5 2.41039045022UZW (45%) + SS4_E_3
QMean=0.531
P1: (13 Cplx.) RUN2 pKi= 5.9
271 6.3 2.41039046594GV1 (39%) + 0XZ_A_2
QMean=0.579
P2: (6 Cplx.) RUN0 pKi= 7.3
272 6.7 2.41039045802F7X (45%) + 4EA_C_3
QMean=0.520
P1: (8 Cplx.) RUN2 pKi= 5.9
273 6.7 2.41039045923AGM (45%) + A67_A_2
QMean=0.231
P1: (3 Cplx.) RUN1 pKi= 5.9
274 4.8 2.41039046642JDT (45%) + I5S_A_3
QMean=0.259
P1: (9 Cplx.) RUN2 pKi= 5.9
275 7.5 2.41039045532JDT (45%) + I5S_A_3
QMean=0.259
P1: (11 Cplx.) RUN2 pKi= 6.9
276 5.1 2.41039043522VO0 (45%) + M03_A_6
QMean=0.295
P2: (4 Cplx.) RUN2 pKi= 6.7
277 6.6 2.41039045022UZW (45%) + SS4_E_3
QMean=0.531
P1: (14 Cplx.) RUN1 pKi= 5.9
278 5.8 2.51039044022GU8 (45%) + 796_A_3
QMean=0.292
P2: (3 Cplx.) RUN2 pKi= 5.8
279 8.4 2.51039045132UZV (45%) + SS5_A_3
QMean=0.518
P1: (6 Cplx.) RUN0 pKi= 7
280 7.3 2.51039049622UZV (45%) + SS5_A_3
QMean=0.518
P1: (5 Cplx.) RUN1 pKi= 6.4
281 6.4 2.51039049122F7E (45%) + 2EA_C_3
QMean=0.553
P1: (4 Cplx.) RUN0 pKi= 6.6
282 4.6 2.51039049551XH8 (45%) + R55_C_3
QMean=0.288
P2: (6 Cplx.) RUN2 pKi= 6.9
283 6.7 2.51039050562UZU (45%) + L20_E_3
QMean=0.499
P2: (3 Cplx.) RUN1 pKi= 6.1
284 6.6 2.51039043333TXO (37%) + 07U_A_2
QMean=0.453
P2: (4 Cplx.) RUN1 pKi= 6.1
285 6.1 2.51039043402OJF (45%) + 4PY_C_3
QMean=0.554
P1: (7 Cplx.) RUN0 pKi= 5.8
286 7.1 2.51039045143L9M (45%) + L9M_B_6
QMean=0.299
P1: (4 Cplx.) RUN1 pKi= 6.8
287 7.1 2.51039050562OH0 (45%) + 2PY_C_3
QMean=0.551
P2: (4 Cplx.) RUN0 pKi= 6.1

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.18



Action on selected entries :