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]
1CDK17_HUMAN102 81% 0.535 PF00069 C1_S1117 - (9)20 1 / 23 / 77 91
2CDK19_HUMAN105 88% 0.566 PF00069 C1_S1147 - (8)20 4 / 18 / 90 88
3CDK14_HUMAN99 60% 0.504 PF00069 C1_S1117 - (12)20 1 / 20 / 79 87
4CDK10_HUMAN107 45% 0.598 PF00069 C1_S1136 - (6)20 1 / 16 / 94 85
5CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
6CDK16_HUMAN106 99% 0.511 PF00069 C1_S1120 - (10)20 1 / 30 / 74 81
7CDK12_HUMAN94 99% 0.531 PF00069 C2_S1107 - (7)20 2 / 20 / 73 79
8CDK9_HUMAN97 99% 0.497 PF00069 C1_S1117 - (11)20 1 / 29 / 67 72
9CDKL5_HUMAN95 99% 0.514 PF00069 C2_S1112 - (1)20 - / 18 / 76 71
10CDK13_HUMAN82 91% 0.538 PF00069 C3_S1104 - (3)20 1 / 14 / 74 70
11CHK1_HUMAN83 100% 0.518 PF00069 C1_S1109 - (5)20 3 / 57 / 23 70
12MAK_HUMAN97 39% 0.548 PF00069 C2_S1114 - (1)20 - / 20 / 81 70
13UFO_HUMAN107 69% 0.556 PF00018 C3_S1126 - (9)20 42 / 44 / 21 69
14MERTK_HUMAN110 100% 0.587 PF00018 C1_S1131 - (7)20 51 / 45 / 15 68
15KAPCG_HUMAN100 84% 0.819 PF00069 C1_S1121 - (22)20 11 / 53 / 39 67
16MK11_HUMAN87 99% 0.524 PF00069 C1_S1101 - (7)20 27 / 44 / 17 64
17AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
18KAPCB_HUMAN99 92% 0.828 PF00069 C1_S1121 - (26)20 11 / 52 / 38 63
19KAPCA_HUMAN101 99% 0.843 PF00069 C1_S1123 - (25)20 12 / 53 / 38 63
20AURKC_HUMAN100 84% 0.576 PF00069 C1_S1113 - (17)20 10 / 63 / 26 62
21AURKB_HUMAN95 99% 0.504 PF00069 C1_S1112 - (19)20 8 / 60 / 27 62
22CDK6_HUMAN96 100% 0.765 PF00069 C1_S1112 - (5)20 1 / 42 / 47 61
23CDK2_HUMAN98 100% 0.809 PF00069 C1_S1121 - (8)20 2 / 36 / 50 61
24PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
25TXK_HUMAN113 66% 0.433 PF00018 C1_S1130 - (4)20 20 / 69 / 28 60
26TEC_HUMAN114 67% 0.455 PF00018 C3_S1131 - (3)20 27 / 67 / 24 59
27CDK3_HUMAN98 77% 0.565 PF00069 C1_S1119 - (8)20 2 / 36 / 51 59
28BTK_HUMAN100 100% 0.672 PF00018 C1_S1117 - (3)20 24 / 48 / 31 58
29PIM3_HUMAN95 75% 0.541 PF00069 C1_S1122 - (16)20 - / 55 / 40 58
30MK14_HUMAN87 100% 0.795 PF00069 C1_S1104 - (7)20 20 / 43 / 27 58
31ULK3_HUMAN99 39% 0.589 PF00069 C2_S1118 - (16)20 3 / 74 / 22 57
32PRKX_HUMAN100 53% 0.509 PF00069 C1_S1117 - (27)20 8 / 56 / 35 57
33KS6A4_HUMAN92 69% 0.513 PF00069 C1_S1101 - (21)20 7 / 59 / 27 57
34ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
35MK01_HUMAN101 100% 0.770 PF00069 C1_S1130 - (25)20 6 / 34 / 60 57
36JAK2_HUMAN95 99% 0.457 PF00017 C1_S197 - (0)20 5 / 71 / 20 56
37MK09_HUMAN95 97% 0.494 PF00069 C1_S1121 - (11)20 20 / 48 / 29 56
38CDKL2_HUMAN102 99% 0.577 PF00069 C2_S1130 - (9)20 2 / 37 / 55 56
39PRKY_HUMAN101 52% 0.442 PF00069 C1_S1118 - (29)20 6 / 50 / 42 56
40CDK1_HUMAN101 100% 0.544 PF00069 C1_S1124 - (9)20 2 / 42 / 55 56
41CDKL3_HUMAN102 99% 0.569 PF00069 C3_S1124 - (11)20 1 / 20 / 82 56
42KGP2_HUMAN89 46% 0.474 PF00069 C3_S1111 - (28)20 8 / 47 / 33 56
43KS6B2_HUMAN90 81% 0.549 PF00069 C1_S1113 - (16)20 1 / 63 / 30 54
44CDK7_HUMAN99 100% 0.524 PF00069 C1_S1123 - (11)20 2 / 36 / 59 54
45CDK18_HUMAN99 77% 0.456 PF00069 C1_S1126 - (9)20 2 / 38 / 50 53
46LCK_HUMAN101 100% 0.692 PF00018 C3_S1112 - (6)20 32 / 53 / 17 53
47CDK5_HUMAN98 100% 0.520 PF00069 C1_S1115 - (7)20 2 / 41 / 50 53
48CDKL1_HUMAN101 98% 0.560 PF00069 C1_S1128 - (8)20 1 / 42 / 54 53
49AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
50MOK_HUMAN85 36% 0.411 PF00069 C1_S1111 - (6)20 - / 8 / 75 52

<< Page / 10 >> - Show