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]
1KPCL_HUMAN95 100% 0.466 PF00069 C1_S1113 - (48)20 1 / 79 / 17 33
2PK3CA_HUMAN7 100% 0.529 PF00613 C3_S113 - (1)11 - / 5 / 4 6
3MK13_HUMAN83 100% 0.572 PF00069 C1_S198 - (9)19 15 / 45 / 23 24
4FGFR4_HUMAN72 100% 0.619 PF07714 C3_S180 - (28)20 10 / 21 / 38 19
5MARK2_HUMAN38 100% 0.542 PF00069 C1_S198 - (11)20 - / 12 / 22 16
6KS6A1_HUMAN49 100% 0.587 PF00433 C3_S157 - (11)20 2 / 39 / 8 26
7HASP_HUMAN8 100% 0.518 PF00069 C4_S112 - (6)7 - / 4 / 4 6
8CDK4_HUMAN74 100% 0.527 PF00069 C1_S192 - (6)20 - / 23 / 46 38
9KPCT_HUMAN61 100% 0.586 PF00433 C1_S176 - (13)20 3 / 51 / 8 32
10PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
11NEK7_HUMAN25 100% 0.598 PF00069 C1_S1103 - (13)20 - / 11 / 17 21
12CSK_HUMAN109 100% 0.571 PF00018 C1_S1125 - (13)20 40 / 53 / 16 25
13VRK1_HUMAN7 100% 0.480 PF00069 C1_S136 - (3)13 - / 11 / 7 5
14FAK1_HUMAN90 100% 0.541 PF00018 C2_S195 - (17)20 21 / 38 / 30 40
15ROR2_HUMAN81 100% 0.544 PF07714 C2_S196 - (20)20 4 / 26 / 51 37
16MP2K4_HUMAN86 100% 0.503 PF00069 C1_S1143 - (56)20 4 / 58 / 50 18
17ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
18IGF1R_HUMAN69 100% 0.813 PF01030 C1_S187 - (10)20 6 / 45 / 17 39
19PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
20CSK21_HUMAN89 100% 0.785 PF00069 C1_S1124 - (21)20 3 / 39 / 44 38
21PDK1_HUMAN34 100% 0.559 PF02518 C2_S146 - (38)14 2 / 20 / 14 5
22KCC1G_HUMAN56 100% 0.553 PF00069 C3_S1121 - (19)20 1 / 24 / 29 26
23TTBK1_HUMAN49 100% 0.583 PF00069 C2_S165 - (5)19 - / 31 / 21 16
24ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
25ERBB4_HUMAN66 100% 0.574 PF01030 C5_S170 - (19)20 14 / 28 / 22 28
26MK07_HUMAN75 100% 0.603 PF00069 C1_S187 - (18)20 4 / 35 / 35 37
27MK01_HUMAN101 100% 0.770 PF00069 C1_S1130 - (25)20 6 / 34 / 60 57
28MAPK3_HUMAN33 100% 0.550 PF00069 C1_S172 - (17)18 - / 23 / 11 15
29CLK3_HUMAN20 100% 0.469 PF00069 C1_S134 - (11)19 - / 14 / 9 10
30TGFR1_HUMAN35 100% 0.534 PF08515 C1_S162 - (0)20 1 / 22 / 13 16
31M3K5_HUMAN68 100% 0.505 PF00069 C1_S194 - (16)15 6 / 29 / 34 21
32TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
33CDK7_HUMAN99 100% 0.524 PF00069 C1_S1123 - (11)20 2 / 36 / 59 54
34DMPK_HUMAN53 100% 0.538 PF08912 C2_S170 - (9)20 - / 18 / 36 26
35MP2K7_HUMAN65 100% 0.544 PF00069 C1_S1128 - (47)20 4 / 47 / 42 21
36GSK3B_HUMAN82 100% 0.848 PF00069 C1_S1109 - (17)20 3 / 29 / 47 36
37EPHB4_HUMAN79 100% 0.636 PF07714 C1_S188 - (18)20 6 / 32 / 39 36
38VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
39MRCKB_HUMAN72 100% 0.552 PF08912 C2_S183 - (9)20 - / 29 / 46 34
40KS6A3_HUMAN9 100% 0.562 PF00433 C3_S111 - (0)9 - / 4 / 5 7
41CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
42MAPK2_HUMAN38 100% 0.483 PF00069 C1_S173 - (17)20 - / 25 / 13 12
43MKNK2_HUMAN30 100% 0.518 PF00069 C1_S180 - (16)20 - / 9 / 19 10
44KC1D_HUMAN56 100% 0.804 PF00069 C1_S178 - (5)20 - / 40 / 19 21
45MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
46PLK4_HUMAN80 100% 0.501 PF00069 C2_S1116 - (17)20 5 / 38 / 36 51
47FLT3_HUMAN45 100% 0.527 PF07714 C2_S182 - (4)19 1 / 27 / 11 17
48KKCC2_HUMAN52 100% 0.454 PF00069 C1_S191 - (17)20 - / 16 / 35 23
49RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
50OXSR1_HUMAN83 100% 0.520 PF00069 C2_S1113 - (23)20 2 / 33 / 49 32

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