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]
50STK24_HUMAN98 99% 0.511 PF00069 C2_S1126 - (30)20 6 / 51 / 50 42
51CDK3_HUMAN98 77% 0.565 PF00069 C1_S1119 - (8)20 2 / 36 / 51 59
52CDK5_HUMAN98 100% 0.520 PF00069 C1_S1115 - (7)20 2 / 41 / 50 53
53STK26_HUMAN97 100% 0.552 PF00069 C1_S1125 - (31)20 5 / 47 / 53 39
54MAK_HUMAN97 39% 0.548 PF00069 C2_S1114 - (1)20 - / 20 / 81 70
55CDK20_HUMAN97 46% 0.608 PF00069 C1_S1125 - (9)20 1 / 44 / 48 45
56CDK9_HUMAN97 99% 0.497 PF00069 C1_S1117 - (11)20 1 / 29 / 67 72
57PIM2_HUMAN96 100% 0.549 PF00069 C1_S1128 - (14)20 - / 55 / 41 44
58PAK2_HUMAN96 91% 0.599 PF00069 C1_S1122 - (21)20 8 / 52 / 38 36
59CDK6_HUMAN96 100% 0.765 PF00069 C1_S1112 - (5)20 1 / 42 / 47 61
60PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
61ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
62MK09_HUMAN95 97% 0.494 PF00069 C1_S1121 - (11)20 20 / 48 / 29 56
63MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
64PAK3_HUMAN95 95% 0.551 PF00069 C1_S1121 - (20)20 7 / 52 / 38 30
65IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
66CDKL5_HUMAN95 99% 0.514 PF00069 C2_S1112 - (1)20 - / 18 / 76 71
67JAK2_HUMAN95 99% 0.457 PF00017 C1_S197 - (0)20 5 / 71 / 20 56
68AURKB_HUMAN95 99% 0.504 PF00069 C1_S1112 - (19)20 8 / 60 / 27 62
69KPCL_HUMAN95 100% 0.466 PF00069 C1_S1113 - (48)20 1 / 79 / 17 33
70PIM3_HUMAN95 75% 0.541 PF00069 C1_S1122 - (16)20 - / 55 / 40 58
71AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
72TYK2_HUMAN94 100% 0.525 PF00017 C1_S1101 - (0)20 7 / 63 / 25 41
73M3K9_HUMAN94 38% 0.508 PF00018 C2_S1109 - (4)20 5 / 67 / 21 19
74PLK3_HUMAN94 100% 0.530 PF00069 C1_S1135 - (16)20 10 / 32 / 49 48
75CSK22_HUMAN94 100% 0.734 PF00069 C1_S1122 - (22)20 2 / 41 / 47 39
76CDK12_HUMAN94 99% 0.531 PF00069 C2_S1107 - (7)20 2 / 20 / 73 79
77M3KL4_HUMAN93 38% 0.570 PF00018 C2_S1103 - (12)20 7 / 52 / 29 24
78STK4_HUMAN93 99% 0.556 PF00069 C3_S1122 - (27)20 6 / 51 / 38 36
79MK03_HUMAN93 100% 0.756 PF00069 C1_S1123 - (26)20 6 / 36 / 51 47
80STK3_HUMAN93 99% 0.550 PF00069 C4_S1119 - (26)20 6 / 51 / 37 36
81FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
82M3K3_HUMAN92 40% 0.495 PF00069 C1_S1119 - (10)20 7 / 38 / 50 23
83NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
84M3K2_HUMAN92 40% 0.509 PF00069 C1_S1114 - (18)20 7 / 37 / 51 27
85M4K5_HUMAN92 48% 0.524 PF00069 C2_S1111 - (25)20 2 / 46 / 46 33
86CDK15_HUMAN92 55% 0.480 PF00069 C1_S1115 - (13)20 2 / 39 / 37 46
87NTRK1_HUMAN92 100% 0.582 PF01030 C3_S1124 - (10)20 12 / 55 / 26 43
88KS6A4_HUMAN92 69% 0.513 PF00069 C1_S1101 - (21)20 7 / 59 / 27 57
89TNI3K_HUMAN92 36% 0.493 PF00018 C2_S1111 - (9)18 9 / 48 / 30 35
90NRK_HUMAN91 57% 0.533 PF00069 C2_S1108 - (15)20 3 / 40 / 50 37
91JAK3_HUMAN91 100% 0.515 PF07714 C2_S1108 - (4)20 2 / 65 / 26 44
92VGFR3_HUMAN91 76% 0.538 PF07714 C4_S1105 - (26)20 35 / 28 / 29 40
93M4K3_HUMAN91 50% 0.526 PF00069 C1_S1107 - (24)20 6 / 42 / 43 33
94TAOK1_HUMAN91 88% 0.585 PF00069 C1_S1102 - (19)20 5 / 37 / 49 37
95STK39_HUMAN90 100% 0.504 PF00069 C2_S1117 - (25)17 2 / 42 / 47 32
96MLTK_HUMAN90 40% 0.504 PF00018 C2_S198 - (11)20 29 / 48 / 13 20
97KS6B2_HUMAN90 81% 0.549 PF00069 C1_S1113 - (16)20 1 / 63 / 30 54
98FAK1_HUMAN90 100% 0.541 PF00018 C2_S195 - (17)20 21 / 38 / 30 40
99M3K11_HUMAN90 37% 0.422 PF00018 C3_S1102 - (11)20 5 / 57 / 28 23
100M3K13_HUMAN89 38% 0.515 PF02196 C2_S1103 - (5)20 16 / 50 / 22 27

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