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

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



Action on selected entries :