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)
1FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
2ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
3IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
4MK10_HUMAN84 100% 0.535 PF00069 C2_S1101 - (8)20 17 / 46 / 18 46 73 -0.15
5SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
6ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
7KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
8MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
9CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
10ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
11NTRK1_HUMAN91 100% 0.582 PF07714 C3_S1211 - (16)20 12 / 51 / 26 41 669 -0.43
12RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
13PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
14VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
15CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
16TYK2_HUMAN24 100% 0.567 PF00017 C2_S1113 - (5)11 3 / 19 / 6 23 90 -0.28
17BLK_HUMAN105 100% 0.566 PF00018 C2_S1228 - (9)20 36 / 42 / 20 49 656 -0.32
18IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
19KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
20BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
21UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
22MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
23KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
24FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
25PAK4_HUMAN17 100% 0.606 PF00069 C1_S182 - (22)15 - / 5 / 12 8 218 -0.23
26JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
27FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
28ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
29MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
30KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
31FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
32CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
33NTRK2_HUMAN86 100% 0.592 PF07714 C2_S1222 - (18)20 11 / 49 / 26 40 685 -0.47
34AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
35AAPK1_HUMAN81 100% 0.565 PF00069 C4_S1122 - (14)20 - / 45 / 40 41 847 -0.42
36ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
37SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
38GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
39KKCC2_HUMAN29 100% 0.518 PF00069 C1_S188 - (14)20 - / 15 / 12 14 25 -0.16
40PGFRA_HUMAN95 100% 0.588 PF07714 C2_S1128 - (12)20 3 / 16 / 68 15 300 -0.56
41MK14_HUMAN80 100% 0.795 PF00069 C1_S196 - (5)20 19 / 41 / 17 52 345 -0.53
42MLTK_HUMAN54 100% 0.526 PF00018 C2_S1132 - (12)20 8 / 33 / 13 21 381 -0.15
43MKNK2_HUMAN31 100% 0.528 PF00069 C1_S181 - (17)20 - / 9 / 18 6 225 -0.18
44NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
45KS6A3_HUMAN7 100% 0.610 PF00433 C2_S115 - (0)6 - / 2 / 5 4 149 -0.50
46KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
47VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
48MP2K1_HUMAN42 100% 0.588 PF00069 C1_S1140 - (38)20 6 / 37 / 18 15 403 -0.21
49SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
50CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23

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