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)
1LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
2BLK_HUMAN105 100% 0.566 PF00018 C2_S1228 - (9)20 36 / 42 / 20 49 656 -0.32
3LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
4SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
5HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
6ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
7CDK19_HUMAN103 91% 0.609 PF00069 C1_S1144 - (9)20 4 / 20 / 85 88 112 -0.21
8CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
9FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
10FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
11AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
12SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
13AKT1_HUMAN100 100% 0.556 PF00069 C1_S1282 - (27)20 8 / 67 / 25 48 438 -0.42
14MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
15CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
16CDK9_HUMAN99 99% 0.675 PF00069 C1_S1120 - (10)20 2 / 30 / 67 80 562 -0.49
17FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
18KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
19UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
20KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
21FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
22TYRO3_HUMAN96 100% 0.542 PF00018 C4_S1150 - (9)20 44 / 34 / 19 57 523 -0.62
23KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
24CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
25PGFRA_HUMAN95 100% 0.588 PF07714 C2_S1128 - (12)20 3 / 16 / 68 15 300 -0.56
26VGFR3_HUMAN95 100% 0.566 PF07714 C5_S1174 - (13)20 27 / 38 / 29 34 956 -0.47
27PRKX_HUMAN93 53% 0.530 PF00069 C1_S1116 - (28)20 6 / 52 / 34 50 785 -0.47
28JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
29BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
30VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
31KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
32AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
33NTRK1_HUMAN91 100% 0.582 PF07714 C3_S1211 - (16)20 12 / 51 / 26 41 669 -0.43
34CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
35KGP2_HUMAN90 46% 0.544 PF00069 C4_S1110 - (27)20 6 / 47 / 37 48 249 -0.25
36CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
37PGFRB_HUMAN89 100% 0.553 PF07714 C6_S1135 - (5)20 3 / 14 / 65 8 145 -0.60
38MK09_HUMAN89 97% 0.494 PF00069 C1_S1111 - (9)20 15 / 51 / 23 47 812 -0.42
39AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
40VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
41EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
42ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
43KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
44CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
45MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
46KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
47NTRK2_HUMAN86 100% 0.592 PF07714 C2_S1222 - (18)20 11 / 49 / 26 40 685 -0.47
48FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
49NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
50MK10_HUMAN84 100% 0.535 PF00069 C2_S1101 - (8)20 17 / 46 / 18 46 73 -0.15

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