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]
50ERBB2_HUMAN67 99% 0.528 PF01030 C3_S171 - (19)20 16 / 28 / 21 30
51MK13_HUMAN83 100% 0.572 PF00069 C1_S198 - (9)19 15 / 45 / 23 24
52EPHA3_HUMAN80 99% 0.612 PF00018 C3_S188 - (19)20 15 / 41 / 22 38
53EPHA5_HUMAN77 99% 0.645 PF00018 C3_S184 - (17)20 15 / 37 / 22 35
54MUSK_HUMAN78 97% 0.579 PF07714 C6_S196 - (5)20 15 / 22 / 38 33
55ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
56TNK1_HUMAN84 48% 0.559 PF07714 C2_S1115 - (11)20 14 / 38 / 28 33
57ERBB4_HUMAN66 100% 0.574 PF01030 C5_S170 - (19)20 14 / 28 / 22 28
58EPHB1_HUMAN72 100% 0.572 PF00018 C1_S178 - (18)20 14 / 27 / 29 30
59MP2K1_HUMAN68 100% 0.585 PF00069 C1_S1142 - (44)20 13 / 57 / 25 10
60EPHB2_HUMAN70 99% 0.622 PF00018 C3_S179 - (16)20 13 / 39 / 17 35
61TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
62NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
63NTRK1_HUMAN92 100% 0.582 PF01030 C3_S1124 - (10)20 12 / 55 / 26 43
64KAPCA_HUMAN101 99% 0.843 PF00069 C1_S1123 - (25)20 12 / 53 / 38 63
65NTRK3_HUMAN86 95% 0.575 PF07714 C5_S1121 - (9)20 12 / 52 / 23 32
66M3K7_HUMAN105 98% 0.474 PF00018 C3_S1131 - (15)20 12 / 47 / 43 35
67RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
68TYRO3_HUMAN59 98% 0.496 PF07714 C3_S171 - (6)20 12 / 29 / 17 31
69TIE1_HUMAN101 81% 0.521 PF07714 C2_S1125 - (21)20 12 / 28 / 59 46
70FGFR2_HUMAN44 100% 0.591 PF07714 C3_S177 - (0)20 12 / 22 / 8 24
71ZAP70_HUMAN104 100% 0.621 PF07714 C1_S1127 - (19)20 11 / 59 / 35 41
72KAPCG_HUMAN100 84% 0.819 PF00069 C1_S1121 - (22)20 11 / 53 / 39 67
73KAPCB_HUMAN99 92% 0.828 PF00069 C1_S1121 - (26)20 11 / 52 / 38 63
74AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
75AURKC_HUMAN100 84% 0.576 PF00069 C1_S1113 - (17)20 10 / 63 / 26 62
76KSYK_HUMAN107 100% 0.528 PF07714 C3_S1126 - (19)20 10 / 57 / 40 44
77ALK_HUMAN77 100% 0.522 PF07714 C1_S190 - (6)20 10 / 50 / 17 34
78PLK3_HUMAN94 100% 0.530 PF00069 C1_S1135 - (16)20 10 / 32 / 49 48
79FGFR4_HUMAN72 100% 0.619 PF07714 C3_S180 - (28)20 10 / 21 / 38 19
80FGFR3_HUMAN44 98% 0.604 PF07714 C2_S173 - (0)18 10 / 21 / 9 21
81ACK1_HUMAN50 100% 0.495 PF01030 C3_S198 - (26)20 10 / 19 / 22 20
82E2AK2_HUMAN35 99% 0.436 PF00069 C2_S157 - (12)20 10 / 14 / 10 25
83MP2K5_HUMAN73 47% 0.542 PF00069 C1_S1124 - (46)20 9 / 64 / 28 22
84TNI3K_HUMAN92 36% 0.493 PF00018 C2_S1111 - (9)18 9 / 48 / 30 35
85EPHA4_HUMAN77 99% 0.688 PF00018 C2_S180 - (17)20 9 / 39 / 26 36
86FGFR1_HUMAN62 99% 0.583 PF07714 C4_S177 - (27)20 9 / 18 / 32 17
87AURKB_HUMAN95 99% 0.504 PF00069 C1_S1112 - (19)20 8 / 60 / 27 62
88PRKX_HUMAN100 53% 0.509 PF00069 C1_S1117 - (27)20 8 / 56 / 35 57
89PAK2_HUMAN96 91% 0.599 PF00069 C1_S1122 - (21)20 8 / 52 / 38 36
90M4K1_HUMAN81 44% 0.480 PF00069 C1_S1105 - (20)20 8 / 50 / 31 31
91MP2K2_HUMAN54 86% 0.641 PF00069 C1_S1124 - (46)20 8 / 49 / 25 22
92KGP2_HUMAN89 46% 0.474 PF00069 C3_S1111 - (28)20 8 / 47 / 33 56
93ROR1_HUMAN82 67% 0.534 PF07714 C2_S1103 - (5)15 8 / 39 / 36 23
94MYO3A_HUMAN50 36% 0.467 PF01576 C2_S159 - (0)17 8 / 36 / 7 13
95LIMK1_HUMAN69 100% 0.503 PF00018 C3_S1121 - (11)20 8 / 33 / 30 19
96AKT2_HUMAN106 100% 0.512 PF00433 C1_S1130 - (25)20 7 / 74 / 24 44
97TYK2_HUMAN94 100% 0.525 PF00017 C1_S1101 - (0)20 7 / 63 / 25 41
98KS6A4_HUMAN92 69% 0.513 PF00069 C1_S1101 - (21)20 7 / 59 / 27 57
99MP2K6_HUMAN79 100% 0.474 PF00069 C1_S1149 - (49)20 7 / 57 / 41 9
100NLK_HUMAN74 46% 0.490 PF00069 C1_S1100 - (18)19 7 / 53 / 13 34

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