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]
1HCK_HUMAN99 100% 0.808 PF00018 C3_S1110 - (6)20 32 / 51 / 17 32
2EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
3TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
4NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
5STK26_HUMAN97 100% 0.552 PF00069 C1_S1125 - (31)20 5 / 47 / 53 39
6KCC1G_HUMAN56 100% 0.553 PF00069 C3_S1121 - (19)20 1 / 24 / 29 26
7PLK1_HUMAN71 100% 0.540 PF00069 C2_S1101 - (14)20 7 / 28 / 37 33
8KS6A1_HUMAN49 100% 0.587 PF00433 C3_S157 - (11)20 2 / 39 / 8 26
9PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
10MP2K1_HUMAN68 100% 0.585 PF00069 C1_S1142 - (44)20 13 / 57 / 25 10
11MERTK_HUMAN110 100% 0.587 PF00018 C1_S1131 - (7)20 51 / 45 / 15 68
12CSKP_HUMAN46 100% 0.591 PF00069 C2_S1112 - (31)15 - / 5 / 40 15
13M4K4_HUMAN87 100% 0.550 PF00069 C2_S1103 - (20)20 1 / 46 / 41 36
14STK39_HUMAN90 100% 0.504 PF00069 C2_S1117 - (25)17 2 / 42 / 47 32
15ERN1_HUMAN6 100% 0.512 PF06479 C1_S118 - (5)7 1 / 3 / 4 4
16MK10_HUMAN83 100% 0.523 PF00069 C2_S1100 - (10)20 26 / 37 / 20 49
17KSR2_HUMAN66 100% 0.467 PF02196 C3_S170 - (0)20 2 / 39 / 22 25
18OXSR1_HUMAN83 100% 0.520 PF00069 C2_S1113 - (23)20 2 / 33 / 49 32
19SRC_HUMAN61 100% 0.860 PF00018 C3_S168 - (4)20 20 / 34 / 8 33
20FGFR2_HUMAN44 100% 0.591 PF07714 C3_S177 - (0)20 12 / 22 / 8 24
21MAPK2_HUMAN38 100% 0.483 PF00069 C1_S173 - (17)20 - / 25 / 13 12
22KS6A3_HUMAN9 100% 0.562 PF00433 C3_S111 - (0)9 - / 4 / 5 7
23IGF1R_HUMAN69 100% 0.813 PF01030 C1_S187 - (10)20 6 / 45 / 17 39
24ST17B_HUMAN45 100% 0.546 PF00069 C1_S1101 - (29)20 - / 13 / 27 13
25MARK1_HUMAN38 100% 0.559 PF00069 C2_S199 - (12)19 - / 12 / 23 15
26MK08_HUMAN87 100% 0.529 PF00069 C1_S1101 - (11)20 17 / 42 / 26 45
27M3K14_HUMAN22 100% 0.550 PF00069 C1_S1111 - (26)20 3 / 19 / 9 11
28FAK1_HUMAN90 100% 0.541 PF00018 C2_S195 - (17)20 21 / 38 / 30 40
29LYN_HUMAN100 100% 0.547 PF00018 C2_S1111 - (6)20 32 / 52 / 17 30
30TTK_HUMAN18 100% 0.599 PF00069 C1_S152 - (7)18 1 / 13 / 7 14
31DMPK_HUMAN53 100% 0.538 PF08912 C2_S170 - (9)20 - / 18 / 36 26
32AVR2A_HUMAN37 100% 0.529 PF08515 C2_S197 - (0)20 1 / 27 / 10 17
33SRPK1_HUMAN4 100% 0.582 PF00069 C2_S119 - (5)6 - / 5 / 4 3
34EPHB4_HUMAN79 100% 0.636 PF07714 C1_S188 - (18)20 6 / 32 / 39 36
35NTRK1_HUMAN92 100% 0.582 PF01030 C3_S1124 - (10)20 12 / 55 / 26 43
36ROCK2_HUMAN38 100% 0.614 PF08912 C2_S147 - (0)20 - / 12 / 28 18
37AAPK2_HUMAN82 100% 0.453 PF00069 C4_S1105 - (14)20 2 / 10 / 8 5
38NEK2_HUMAN70 100% 0.590 PF00069 C2_S1132 - (18)18 1 / 27 / 42 32
39LCK_HUMAN101 100% 0.692 PF00018 C3_S1112 - (6)20 32 / 53 / 17 53
40CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
41M3K5_HUMAN68 100% 0.505 PF00069 C1_S194 - (16)15 6 / 29 / 34 21
42ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
43VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
44KKCC2_HUMAN52 100% 0.454 PF00069 C1_S191 - (17)20 - / 16 / 35 23
45TNIK_HUMAN86 100% 0.566 PF00069 C1_S1100 - (20)20 2 / 43 / 40 35
46KS6A5_HUMAN47 100% 0.534 PF00433 C1_S148 - (6)20 3 / 36 / 8 28
47TAF1_HUMAN4 100% 0.798 PF00439 112 - (0)2 - / - / - 0
48FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
49ARBK1_HUMAN67 100% 0.531 PF00615 C1_S180 - (27)20 - / 36 / 30 30
50PDK2_HUMAN34 100% 0.556 PF02518 C2_S149 - (39)14 2 / 18 / 17 5

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