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)
50PIM2_HUMAN74 100% 0.549 PF00069 C1_S1110 - (16)20 - / 40 / 32 39 279 -0.18
51LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
52KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
53ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
54EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
55BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
56ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
57AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
58STK33_HUMAN29 39% 0.583 PF00069 C1_S199 - (28)20 - / 12 / 14 7 2 -1.00
59CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
60VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
61MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
62MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
63KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
64CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
65UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
66ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
67PASK_HUMAN71 99% 0.455 PF00069 C1_S1114 - (20)20 - / 24 / 45 16 55 -0.34
68TBK1_HUMAN41 99% 0.592 PF00069 C2_S190 - (28)20 1 / 14 / 23 11 182 -0.62
69BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
70KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
71DYR1A_HUMAN20 34% 0.448 PF00069 C1_S143 - (12)20 - / 8 / 12 10 1117 -0.33
72PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
73NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
74CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
75GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
76PIM3_HUMAN75 75% 0.562 PF00069 C1_S1121 - (18)20 - / 38 / 35 50 669 -0.14
77PAK1_HUMAN46 100% 0.584 PF00069 C1_S1121 - (35)20 - / 20 / 27 14 162 -0.03
78TSSK1_HUMAN39 39% 0.555 PF00069 C1_S1113 - (18)20 - / 22 / 14 21 172 -0.25
79MINK1_HUMAN46 89% 0.569 PF00069 C1_S1109 - (32)20 2 / 19 / 23 16 667 -0.28
80KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
81AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
82CDK9_HUMAN99 99% 0.675 PF00069 C1_S1120 - (10)20 2 / 30 / 67 80 562 -0.49
83CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
84PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
85AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
86KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
87JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
88KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
89KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
90ROCK2_HUMAN44 98% 0.585 PF08912 C3_S170 - (11)20 - / 18 / 27 22 1233 -0.30
91ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
92PGFRB_HUMAN89 100% 0.553 PF07714 C6_S1135 - (5)20 3 / 14 / 65 8 145 -0.60
93SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
94SLK_HUMAN50 98% 0.526 PF00069 C1_S1134 - (51)20 2 / 25 / 36 17 602 -0.22
95KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
96M4K4_HUMAN44 91% 0.567 PF00069 C2_S1120 - (33)20 2 / 19 / 20 15 1408 -0.38
97VGFR3_HUMAN95 100% 0.566 PF07714 C5_S1174 - (13)20 27 / 38 / 29 34 956 -0.47
98CLK4_HUMAN15 86% 0.543 PF00069 C1_S142 - (13)20 - / 12 / 8 8 1343 -0.39
99ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
100HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18

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