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)
1KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
2GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
3ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
4SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
5IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
6GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
7HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
8KC1D_HUMAN25 100% 0.812 PF00069 C1_S147 - (5)18 - / 18 / 11 14 893 -0.20
9CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
10CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
11MK01_HUMAN78 100% 0.804 PF00069 C1_S1100 - (22)20 2 / 29 / 44 47 463 -0.05
12MK14_HUMAN80 100% 0.795 PF00069 C1_S196 - (5)20 19 / 41 / 17 52 345 -0.53
13INSR_HUMAN73 100% 0.787 PF07714 C2_S1141 - (11)20 7 / 40 / 21 39 281 -0.25
14CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
15LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
16BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
17VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
18NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
19CDK9_HUMAN99 99% 0.675 PF00069 C1_S1120 - (10)20 2 / 30 / 67 80 562 -0.49
20MAPK2_HUMAN34 100% 0.672 PF00069 C1_S187 - (19)20 - / 21 / 16 14 297 -0.28
21CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
22ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
23FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
24VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
25FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
26MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
27KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
28KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
29MP2K2_HUMAN41 86% 0.641 PF00069 C1_S1102 - (36)20 4 / 39 / 17 18 339 -0.54
30FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
31FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
32RET_HUMAN16 100% 0.634 PF07714 C1_S1110 - (33)12 - / 16 / 7 18 287 -0.58
33PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
34KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
35IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
36EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
37RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
38KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
39CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
40BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
41MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
42NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
43LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
44FLT3L_HUMAN5 99% 0.611 PF02947 2 - (0)0 - / - / - ---
45KS6A3_HUMAN7 100% 0.610 PF00433 C2_S115 - (0)6 - / 2 / 5 4 149 -0.50
46MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
47CDK19_HUMAN103 91% 0.609 PF00069 C1_S1144 - (9)20 4 / 20 / 85 88 112 -0.21
48PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
49FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
50KPCD_HUMAN24 72% 0.606 PF00433 C3_S141 - (8)12 - / 21 / 4 14 149 -0.30

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