Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I90_2019M4 (2019 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 3D Models | DB.fasta


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]
1CDK2_HUMAN424 100% 0.80 PF00069 C1_S1464 - (31)20 4 / 233 / 183 289
2MK14_HUMAN185 100% 0.78 PF00069 C1_S1203 - (0)20 76 / 88 / 21 161
3AURKA_HUMAN162 100% 0.35 PF00069 C1_S1190 - (54)20 18 / 115 / 29 87
4EGFR_HUMAN135 100% 0.14 PF01030 C2_S1136 - (26)138 16 / 83 / 38 67
5MK01_HUMAN135 100% 0.78 PF00069 C1_S1173 - (1)20 18 / 63 / 50 108
6CSK21_HUMAN113 100% 0.67 PF00069 C1_S1156 - (0)18 14 / 48 / 42 54
7CSK23_HUMAN110 99% 0.66 PF00069 C1_S1152 - (0)20 14 / 48 / 41 54
8PIM1_HUMAN110 100% 0.37 PF00069 C1_S1126 - (8)20 - / 58 / 51 100
9CHK1_HUMAN103 100% 0.27 PF00069 C2_S1105 - (0)20 3 / 62 / 38 94
10BRAF_HUMAN96 100% 0.21 PF02196 C1_S199 - (0)20 53 / 39 / 4 45
11GSK3B_HUMAN95 100% 0.67 PF00069 C1_S198 - (9)20 3 / 50 / 40 47
12ABL1_HUMAN95 100% 0.33 PF00018 C1_S1103 - (8)20 59 / 30 / 6 29
13JAK2_HUMAN89 99% 0.14 PF00017 C1_S191 - (0)20 6 / 67 / 16 56
14FGFR1_HUMAN86 100% 0.22 PF07714 C1_S1110 - (0)20 22 / 46 / 18 38
15KAPCB_HUMAN85 93% 0.82 PF00069 C1_S194 - (22)19 8 / 40 / 37 61
16ABL2_HUMAN85 100% 0.19 PF00018 C1_S196 - (8)20 49 / 29 / 7 27
17MET_HUMAN70 100% 0.13 PF01833 C2_S179 - (0)20 51 / 18 / - 57
18BTK_HUMAN69 100% 0.28 PF00018 C1_S175 - (0)20 35 / 28 / 6 60
19KSYK_HUMAN69 100% 0.45 PF00017 C1_S176 - (3)20 5 / 59 / 5 58
20KAPCA_HUMAN54 99% 0.87 PF00069 C1_S159 - (0)19 7 / 26 / 20 43
21ITK_HUMAN49 100% 0.24 PF00018 C2_S157 - (0)20 6 / 31 / 10 31
22PDPK1_HUMAN47 100% 0.28 PF00069 C1_S163 - (19)20 5 / 25 / 16 29
23PDPK2_HUMAN47 99% 0.39 PF00069 C1_S163 - (19)20 5 / 25 / 16 29
24ALK_HUMAN47 100% 0.10 PF07714 C1_S149 - (0)20 12 / 31 / 2 35
25MK08_HUMAN45 100% 0.39 PF00069 C1_S147 - (3)20 7 / 27 / 10 38
26MK10_HUMAN45 100% 0.39 PF00069 C1_S149 - (3)20 12 / 22 / 10 38
27SRC_HUMAN45 100% 0.14 PF00018 C2_S145 - (3)19 3 / 9 / 25 24
28JAK3_HUMAN44 99% 0.14 PF07714 C1_S153 - (0)20 - / 35 / 11 31
29KC1E_HUMAN42 100% 0.56 PF00069 C1_S154 - (0)19 3 / 37 / 2 16
30HCK_HUMAN42 100% 0.68 PF00018 C1_S147 - (2)20 23 / 13 / 6 23
31KC1D_HUMAN42 100% 0.55 PF00069 C1_S154 - (0)19 3 / 36 / 2 16
32DAPK1_HUMAN42 100% 0.12 PF00069 C1_S143 - (20)20 1 / 12 / 24 19
33FGFR2_HUMAN41 100% 0.21 PF07714 C1_S141 - (34)12 - / 6 / 33 6
34FAK1_HUMAN41 100% 0.31 PF07714 C1_S143 - (4)20 5 / 20 / 14 27
35EPHA2_HUMAN39 100% 0.18 PF00536 C2_S145 - (4)20 4 / 28 / 7 32
36MP2K1_HUMAN36 100% 0.48 PF00069 C1_S156 - (28)20 3 / 22 / 11 19
37TTK_HUMAN35 100% 0.18 -C1_S145 - (0)20 9 / 20 / 5 31
38IRAK4_HUMAN33 100% 0.30 PF07714 C1_S133 - (0)20 6 / 25 / 2 19
39LCK_HUMAN33 100% 0.42 PF00018 C1_S135 - (1)20 7 / 17 / 9 31
40VRK1_HUMAN33 97% 0.42 PF00069 C1_S133 - (0)20 - / 27 / 6 14
41JAK1_HUMAN32 99% 0.15 PF07714 C1_S137 - (0)20 - / 23 / 9 17
42PAK1_HUMAN31 100% 0.30 PF00069 C1_S136 - (0)20 7 / 19 / 5 21
43PAK2_HUMAN30 91% 0.32 PF00069 C1_S133 - (0)20 7 / 15 / 8 19
44CHK2_HUMAN30 100% 0.28 PF00069 C1_S136 - (1)20 1 / 16 / 13 30
45PAK3_HUMAN30 95% 0.29 PF00069 C1_S134 - (0)20 7 / 18 / 5 20
46M3K5_HUMAN27 100% 0.09 PF00069 C2_S141 - (0)17 5 / 13 / 4 12
47ACVR1_HUMAN27 99% 0.28 PF08515 C1_S132 - (0)20 - / 27 / - 12
48STK24_HUMAN26 99% 0.34 PF00069 C1_S126 - (0)20 1 / 15 / 10 22
49ROCK1_HUMAN24 100% 0.17 PF08912 C1_S124 - (0)20 2 / 11 / 11 13
50NTRK1_HUMAN24 100% 0.21 PF18613 C2_S126 - (0)20 13 / 11 / - 21

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