Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME (Jul 2013)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
1CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
2ROCK1_HUMAN36 100% 0.574 PF08912 C2_S142 - (0)20 - / 12 / 24 18 1416 -0.45
3AAPK1_HUMAN81 100% 0.565 PF00069 C4_S1122 - (14)20 - / 45 / 40 41 847 -0.42
4KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
5CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
6RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
7AKT1_HUMAN100 100% 0.556 PF00069 C1_S1282 - (27)20 8 / 67 / 25 48 438 -0.42
8KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
9PDPK1_HUMAN57 100% 0.540 PF00069 C2_S192 - (16)20 4 / 38 / 13 37 440 -0.18
10SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
11ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
12MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
13SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
14FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43
15SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
16KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
17FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
18PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
19RET_HUMAN16 100% 0.634 PF07714 C1_S1110 - (33)12 - / 16 / 7 18 287 -0.58
20BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
21ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
22PHKG2_HUMAN43 100% 0.539 PF00069 C1_S1112 - (35)20 - / 8 / 32 12 244 -0.28
23IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
24CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
25EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
26MAPK2_HUMAN34 100% 0.672 PF00069 C1_S187 - (19)20 - / 21 / 16 14 297 -0.28
27NEK2_HUMAN21 100% 0.590 PF00069 C1_S1126 - (12)20 1 / 16 / 3 16 612 -0.30
28FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
29MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
30VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
31KC1D_HUMAN25 100% 0.812 PF00069 C1_S147 - (5)18 - / 18 / 11 14 893 -0.20
32MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
33CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
34FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
35VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
36ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
37MK08_HUMAN81 100% 0.540 PF00069 C1_S197 - (8)20 12 / 47 / 20 50 724 -0.34
38FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
39INSR_HUMAN73 100% 0.787 PF07714 C2_S1141 - (11)20 7 / 40 / 21 39 281 -0.25
40AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
41CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
42TYRO3_HUMAN96 100% 0.542 PF00018 C4_S1150 - (9)20 44 / 34 / 19 57 523 -0.62
43AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
44HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
45WEE1_HUMAN6 100% 0.561 PF00069 C1_S137 - (9)12 3 / 4 / 3 8 49 -0.41
46FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
47ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
48PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
49MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
50KCC2A_HUMAN61 100% 0.567 PF00069 C1_S1100 - (37)20 - / 12 / 47 19 257 -0.60

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