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]
100MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
101CDK5_HUMAN98 100% 0.520 PF00069 C1_S1115 - (7)20 2 / 41 / 50 53
102HIPK4_HUMAN10 39% 0.434 PF00069 C1_S1115 - (7)16 - / 8 / 10 7
103CDK15_HUMAN92 55% 0.480 PF00069 C1_S1115 - (13)20 2 / 39 / 37 46
104TNK1_HUMAN84 48% 0.559 PF07714 C2_S1115 - (11)20 14 / 38 / 28 33
105MK06_HUMAN81 100% 0.628 PF00069 C1_S1114 - (18)20 - / 30 / 50 36
106M3K2_HUMAN92 40% 0.509 PF00069 C1_S1114 - (18)20 7 / 37 / 51 27
107ULK2_HUMAN72 77% 0.434 PF00069 C3_S1114 - (25)15 - / 27 / 40 23
108M3K8_HUMAN35 100% 0.517 PF00069 C1_S1114 - (13)20 1 / 18 / 20 12
109MAK_HUMAN97 39% 0.548 PF00069 C2_S1114 - (1)20 - / 20 / 81 70
110KPCL_HUMAN95 100% 0.466 PF00069 C1_S1113 - (48)20 1 / 79 / 17 33
111AURKC_HUMAN100 84% 0.576 PF00069 C1_S1113 - (17)20 10 / 63 / 26 62
112KS6B2_HUMAN90 81% 0.549 PF00069 C1_S1113 - (16)20 1 / 63 / 30 54
113RET_HUMAN76 99% 0.602 PF07714 C2_S1113 - (27)18 6 / 28 / 36 23
114OXSR1_HUMAN83 100% 0.520 PF00069 C2_S1113 - (23)20 2 / 33 / 49 32
115TAF1_HUMAN4 100% 0.798 PF00439 112 - (0)2 - / - / - 0
116AURKB_HUMAN95 99% 0.504 PF00069 C1_S1112 - (19)20 8 / 60 / 27 62
117MK04_HUMAN54 73% 0.483 PF00069 C3_S1112 - (23)20 - / 27 / 28 26
118CSKP_HUMAN46 100% 0.591 PF00069 C2_S1112 - (31)15 - / 5 / 40 15
119CDKL5_HUMAN95 99% 0.514 PF00069 C2_S1112 - (1)20 - / 18 / 76 71
120LCK_HUMAN101 100% 0.692 PF00018 C3_S1112 - (6)20 32 / 53 / 17 53
121CDK6_HUMAN96 100% 0.765 PF00069 C1_S1112 - (5)20 1 / 42 / 47 61
122PAK6_HUMAN76 99% 0.537 PF00069 C1_S1112 - (19)20 7 / 32 / 38 27
123GSK3A_HUMAN87 86% 0.814 PF00069 C1_S1112 - (18)20 3 / 31 / 51 45
124LMTK3_HUMAN82 38% 0.535 PF00018 C1_S1112 - (5)20 - / 34 / 46 41
125KGP2_HUMAN89 46% 0.474 PF00069 C3_S1111 - (28)20 8 / 47 / 33 56
126MOK_HUMAN85 36% 0.411 PF00069 C1_S1111 - (6)20 - / 8 / 75 52
127M3K14_HUMAN22 100% 0.550 PF00069 C1_S1111 - (26)20 3 / 19 / 9 11
128MK15_HUMAN86 51% 0.544 PF00069 C3_S1111 - (27)20 5 / 36 / 38 35
129LMTK1_HUMAN74 36% 0.431 PF01030 C1_S1111 - (15)20 - / 22 / 52 25
130TNI3K_HUMAN92 36% 0.493 PF00018 C2_S1111 - (9)18 9 / 48 / 30 35
131HUNK_HUMAN38 42% 0.529 PF00069 C1_S1111 - (16)20 1 / 12 / 22 16
132KPCD2_HUMAN64 37% 0.479 PF00069 C1_S1111 - (44)20 1 / 22 / 40 15
133LYN_HUMAN100 100% 0.547 PF00018 C2_S1111 - (6)20 32 / 52 / 17 30
134M4K5_HUMAN92 48% 0.524 PF00069 C2_S1111 - (25)20 2 / 46 / 46 33
135KPSH1_HUMAN55 48% 0.495 PF00069 C1_S1111 - (39)20 - / 13 / 41 20
136GRK4_HUMAN82 99% 0.514 PF00433 C1_S1110 - (30)20 1 / 48 / 28 30
137HCK_HUMAN99 100% 0.808 PF00018 C3_S1110 - (6)20 32 / 51 / 17 32
138IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
139KPSH2_HUMAN50 45% 0.556 PF00069 C1_S1110 - (32)20 - / 10 / 39 18
140AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
141M3K9_HUMAN94 38% 0.508 PF00018 C2_S1109 - (4)20 5 / 67 / 21 19
142LMTK2_HUMAN70 34% 0.469 PF00018 C1_S1109 - (7)15 1 / 28 / 36 27
143GSK3B_HUMAN82 100% 0.848 PF00069 C1_S1109 - (17)20 3 / 29 / 47 36
144CHK1_HUMAN83 100% 0.518 PF00069 C1_S1109 - (5)20 3 / 57 / 23 70
145ICK_HUMAN89 41% 0.540 PF00069 C2_S1109 - (2)20 - / 17 / 76 52
146NUAK1_HUMAN32 49% 0.497 PF00069 C2_S1109 - (10)20 - / 5 / 27 10
147PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
148JAK3_HUMAN91 100% 0.515 PF07714 C2_S1108 - (4)20 2 / 65 / 26 44
149M3K10_HUMAN83 38% 0.538 PF00018 C1_S1108 - (10)20 - / 48 / 35 31
150NRK_HUMAN91 57% 0.533 PF00069 C2_S1108 - (15)20 3 / 40 / 50 37

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