Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME_2015 (Oct 2015)

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


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1KC1E_HUMAN56 100% 0.794 PF00069 C1_S178 - (6)20 - / 40 / 19 21
2OXSR1_HUMAN83 100% 0.520 PF00069 C2_S1113 - (23)20 2 / 33 / 49 32
3ST17B_HUMAN45 100% 0.546 PF00069 C1_S1101 - (29)20 - / 13 / 27 13
4TNIK_HUMAN86 100% 0.566 PF00069 C1_S1100 - (20)20 2 / 43 / 40 35
5NTRK1_HUMAN92 100% 0.582 PF01030 C3_S1124 - (10)20 12 / 55 / 26 43
6M3K5_HUMAN68 100% 0.505 PF00069 C1_S194 - (16)15 6 / 29 / 34 21
7CHK1_HUMAN83 100% 0.518 PF00069 C1_S1109 - (5)20 3 / 57 / 23 70
8MP2K6_HUMAN79 100% 0.474 PF00069 C1_S1149 - (49)20 7 / 57 / 41 9
9LIMK2_HUMAN21 100% 0.586 PF07714 C3_S144 - (8)20 4 / 9 / 11 11
10ACK1_HUMAN50 100% 0.495 PF01030 C3_S198 - (26)20 10 / 19 / 22 20
11PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
12PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
13KS6A1_HUMAN49 100% 0.587 PF00433 C3_S157 - (11)20 2 / 39 / 8 26
14RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
15ROCK1_HUMAN48 100% 0.573 PF08912 C3_S156 - (5)20 - / 24 / 26 26
16KS6B1_HUMAN58 100% 0.585 PF00433 C1_S178 - (11)20 2 / 44 / 14 32
17PLK3_HUMAN94 100% 0.530 PF00069 C1_S1135 - (16)20 10 / 32 / 49 48
18IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
19STK39_HUMAN90 100% 0.504 PF00069 C2_S1117 - (25)17 2 / 42 / 47 32
20KPCL_HUMAN95 100% 0.466 PF00069 C1_S1113 - (48)20 1 / 79 / 17 33
21TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
22SRC_HUMAN61 100% 0.860 PF00018 C3_S168 - (4)20 20 / 34 / 8 33
23FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
24PK3CG_HUMAN14 100% 0.528 PF00613 C2_S114 - (1)14 - / 10 / 4 7
25BTK_HUMAN100 100% 0.672 PF00018 C1_S1117 - (3)20 24 / 48 / 31 58
26KGP1_HUMAN75 100% 0.495 PF00069 C3_S186 - (25)20 7 / 42 / 29 46
27KSR2_HUMAN66 100% 0.467 PF02196 C3_S170 - (0)20 2 / 39 / 22 25
28EPHA2_HUMAN88 100% 0.608 PF00018 C2_S195 - (21)20 16 / 44 / 28 37
29CSK_HUMAN109 100% 0.571 PF00018 C1_S1125 - (13)20 40 / 53 / 16 25
30ZAP70_HUMAN104 100% 0.621 PF07714 C1_S1127 - (19)20 11 / 59 / 35 41
31KCC4_HUMAN78 100% 0.471 PF00069 C2_S1123 - (27)20 1 / 31 / 43 27
32NEK7_HUMAN25 100% 0.598 PF00069 C1_S1103 - (13)20 - / 11 / 17 21
33STK10_HUMAN83 100% 0.588 PF00069 C1_S1107 - (24)20 3 / 34 / 56 35
34TAF1_HUMAN4 100% 0.798 PF00439 112 - (0)2 - / - / - 0
35AAPK2_HUMAN82 100% 0.453 PF00069 C4_S1105 - (14)20 2 / 10 / 8 5
36MK13_HUMAN83 100% 0.572 PF00069 C1_S198 - (9)19 15 / 45 / 23 24
37AVR2A_HUMAN37 100% 0.529 PF08515 C2_S197 - (0)20 1 / 27 / 10 17
38KKCC2_HUMAN52 100% 0.454 PF00069 C1_S191 - (17)20 - / 16 / 35 23
39PDK1_HUMAN34 100% 0.559 PF02518 C2_S146 - (38)14 2 / 20 / 14 5
40GSK3B_HUMAN82 100% 0.848 PF00069 C1_S1109 - (17)20 3 / 29 / 47 36
41ALK_HUMAN77 100% 0.522 PF07714 C1_S190 - (6)20 10 / 50 / 17 34
42AKT2_HUMAN106 100% 0.512 PF00433 C1_S1130 - (25)20 7 / 74 / 24 44
43EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
44DMPK_HUMAN53 100% 0.538 PF08912 C2_S170 - (9)20 - / 18 / 36 26
45MK06_HUMAN81 100% 0.628 PF00069 C1_S1114 - (18)20 - / 30 / 50 36
46MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
47RAF1_HUMAN86 100% 0.421 PF02196 C2_S1125 - (10)20 28 / 43 / 14 32
48VRK1_HUMAN7 100% 0.480 PF00069 C1_S136 - (3)13 - / 11 / 7 5
49FGFR2_HUMAN44 100% 0.591 PF07714 C3_S177 - (0)20 12 / 22 / 8 24
50TGFR1_HUMAN35 100% 0.534 PF08515 C1_S162 - (0)20 1 / 22 / 13 16

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