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]
200TGFR2_HUMAN35 47% 0.488 PF08515 C1_S153 - (5)20 3 / 21 / 12 11
201KPCE_HUMAN54 72% 0.470 PF00433 C1_S167 - (14)20 - / 45 / 11 30
202PAK2_HUMAN96 91% 0.599 PF00069 C1_S1122 - (21)20 8 / 52 / 38 36
203EPHA1_HUMAN77 61% 0.668 PF07714 C1_S183 - (18)20 5 / 32 / 37 33
204CSK_HUMAN109 100% 0.571 PF00018 C1_S1125 - (13)20 40 / 53 / 16 25
205KS6A4_HUMAN92 69% 0.513 PF00069 C1_S1101 - (21)20 7 / 59 / 27 57
206EPHA8_HUMAN69 100% 0.563 PF07714 C3_S173 - (18)20 4 / 27 / 36 26
207WNK2_HUMAN63 89% 0.538 PF02196 C1_S176 - (3)20 4 / 52 / 9 28
208EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
209VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
210NEK7_HUMAN25 100% 0.598 PF00069 C1_S1103 - (13)20 - / 11 / 17 21
211CDK9_HUMAN97 99% 0.497 PF00069 C1_S1117 - (11)20 1 / 29 / 67 72
212INSRR_HUMAN69 78% 0.592 PF01030 C1_S185 - (10)20 6 / 45 / 18 35
213M4K2_HUMAN86 48% 0.535 PF00069 C2_S1104 - (23)20 4 / 40 / 52 35
214UFO_HUMAN107 69% 0.556 PF00018 C3_S1126 - (9)20 42 / 44 / 21 69
215MP2K2_HUMAN54 86% 0.641 PF00069 C1_S1124 - (46)20 8 / 49 / 25 22
216CDKL1_HUMAN101 98% 0.560 PF00069 C1_S1128 - (8)20 1 / 42 / 54 53
217ROCK2_HUMAN38 100% 0.614 PF08912 C2_S147 - (0)20 - / 12 / 28 18
218SIK2_HUMAN30 54% 0.500 PF00069 C2_S176 - (0)20 2 / 13 / 12 12
219M4K4_HUMAN87 100% 0.550 PF00069 C2_S1103 - (20)20 1 / 46 / 41 36
220TLK1_HUMAN64 33% 0.363 PF00069 C1_S1125 - (28)20 - / 24 / 44 22
221CDK14_HUMAN99 60% 0.504 PF00069 C1_S1117 - (12)20 1 / 20 / 79 87
222MK04_HUMAN54 73% 0.483 PF00069 C3_S1112 - (23)20 - / 27 / 28 26
223KCC2A_HUMAN45 99% 0.432 PF00069 C1_S197 - (28)20 - / 13 / 31 12
224KPCI_HUMAN62 99% 0.630 PF00433 C2_S173 - (13)20 - / 28 / 32 36
225NUAK2_HUMAN41 51% 0.474 PF00069 C2_S199 - (27)20 - / 8 / 27 8
226NTRK3_HUMAN86 95% 0.575 PF07714 C5_S1121 - (9)20 12 / 52 / 23 32
227CHK2_HUMAN71 100% 0.562 PF00069 C1_S1119 - (25)20 1 / 22 / 47 35
228SBK1_HUMAN20 35% 0.445 PF00069 C2_S1120 - (6)20 - / 14 / 6 11
229NTRK2_HUMAN92 100% 0.557 PF01030 C2_S1127 - (12)20 12 / 56 / 25 41
230PKN3_HUMAN68 66% 0.540 PF00433 C2_S177 - (10)20 1 / 39 / 29 36
231ST38L_HUMAN65 47% 0.531 PF00069 C1_S179 - (14)20 - / 26 / 43 31
232AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
233JAK1_HUMAN51 99% 0.480 PF00017 C1_S157 - (0)20 2 / 39 / 11 19
234TAOK1_HUMAN91 88% 0.585 PF00069 C1_S1102 - (19)20 5 / 37 / 49 37
235VGFR3_HUMAN91 76% 0.538 PF07714 C4_S1105 - (26)20 35 / 28 / 29 40
236EPHAA_HUMAN68 58% 0.615 PF07714 C1_S172 - (18)20 3 / 20 / 41 32
237KPSH1_HUMAN55 48% 0.495 PF00069 C1_S1111 - (39)20 - / 13 / 41 20
238M3K10_HUMAN83 38% 0.538 PF00018 C1_S1108 - (10)20 - / 48 / 35 31
239DMPK_HUMAN53 100% 0.538 PF08912 C2_S170 - (9)20 - / 18 / 36 26
240FGFR2_HUMAN44 100% 0.591 PF07714 C3_S177 - (0)20 12 / 22 / 8 24
241GSK3A_HUMAN87 86% 0.814 PF00069 C1_S1112 - (18)20 3 / 31 / 51 45
242BMX_HUMAN112 98% 0.572 PF00018 C1_S1129 - (7)20 22 / 60 / 33 47
243KPCZ_HUMAN80 85% 0.623 PF00433 C2_S192 - (15)20 - / 35 / 43 39
244SGK3_HUMAN62 73% 0.560 PF00433 C2_S179 - (10)20 1 / 47 / 13 38
245KC1AL_HUMAN55 72% 0.526 PF00069 C1_S181 - (7)20 - / 39 / 17 19
246ZAP70_HUMAN104 100% 0.621 PF07714 C1_S1127 - (19)20 11 / 59 / 35 41
247MP2K3_HUMAN63 84% 0.552 PF00069 C1_S1124 - (46)20 6 / 49 / 34 8
248WEE2_HUMAN8 63% 0.470 PF00069 C1_S139 - (11)20 3 / 7 / 10 12
249MOK_HUMAN85 36% 0.411 PF00069 C1_S1111 - (6)20 - / 8 / 75 52
250RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17

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