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 69.00 - (0)? 4 / 233 / 183 289
2MK14_HUMAN185 100% 0.78 PF00069 60.70 - (0)? 76 / 88 / 21 161
3MK01_HUMAN135 100% 0.78 PF00069 61.70 - (0)? 18 / 63 / 50 108
4PIM1_HUMAN110 100% 0.37 PF00069 71.60 - (0)? - / 58 / 51 100
5CHK1_HUMAN103 100% 0.27 PF00069 72.50 - (0)? 3 / 62 / 38 94
6AURKA_HUMAN162 100% 0.35 PF00069 72.40 - (0)? 18 / 115 / 29 87
7KAPCB_HUMAN85 93% 0.82 PF00069 63.10 - (0)? 8 / 40 / 37 61
8BTK_HUMAN69 100% 0.28 PF00018 72.10 - (0)? 35 / 28 / 6 60
9KSYK_HUMAN69 100% 0.45 PF00017 77.10 - (0)? 5 / 59 / 5 58
10MET_HUMAN70 100% 0.13 PF01833 69.80 - (0)? 51 / 18 / - 57
11JAK2_HUMAN89 99% 0.14 PF00017 68.20 - (0)? 6 / 67 / 16 56
12CSK23_HUMAN110 99% 0.66 PF00069 43.00 - (0)? 14 / 48 / 41 54
13CSK21_HUMAN113 100% 0.67 PF00069 45.20 - (0)? 14 / 48 / 42 54
14GSK3B_HUMAN95 100% 0.67 PF00069 63.30 - (0)? 3 / 50 / 40 47
15BRAF_HUMAN96 100% 0.21 PF02196 71.30 - (0)? 53 / 39 / 4 45
16KAPCA_HUMAN54 99% 0.87 PF00069 66.80 - (0)? 7 / 26 / 20 43
17MK10_HUMAN45 100% 0.39 PF00069 72.20 - (0)? 12 / 22 / 10 38
18FGFR1_HUMAN86 100% 0.22 PF07714 78.10 - (0)? 22 / 46 / 18 38
19MK08_HUMAN45 100% 0.39 PF00069 78.10 - (0)? 7 / 27 / 10 38
20ALK_HUMAN47 100% 0.10 PF07714 72.20 - (0)? 12 / 31 / 2 35
21EPHA2_HUMAN39 100% 0.18 PF00536 78.90 - (0)? 4 / 28 / 7 32
22LCK_HUMAN33 100% 0.42 PF00018 68.80 - (0)? 7 / 17 / 9 31
23JAK3_HUMAN44 99% 0.14 PF07714 82.40 - (0)? - / 35 / 11 31
24TTK_HUMAN35 100% 0.18 -73.60 - (0)? 9 / 20 / 5 31
25ITK_HUMAN49 100% 0.24 PF00018 69.10 - (0)? 6 / 31 / 10 31
26CHK2_HUMAN30 100% 0.28 PF00069 71.80 - (0)? 1 / 16 / 13 30
27PDPK1_HUMAN47 100% 0.28 PF00069 67.50 - (0)? 5 / 25 / 16 29
28PDPK2_HUMAN47 99% 0.39 PF00069 71.10 - (0)? 5 / 25 / 16 29
29ABL1_HUMAN95 100% 0.33 PF00018 65.20 - (0)? 59 / 30 / 6 29
30FAK1_HUMAN41 100% 0.31 PF07714 61.40 - (0)? 5 / 20 / 14 27
31ABL2_HUMAN85 100% 0.19 PF00018 67.70 - (0)? 49 / 29 / 7 27
32SRC_HUMAN45 100% 0.14 PF00018 83.60 - (0)? 3 / 9 / 25 24
33HCK_HUMAN42 100% 0.68 PF00018 85.20 - (0)? 23 / 13 / 6 23
34STK24_HUMAN26 99% 0.34 PF00069 70.10 - (0)? 1 / 15 / 10 22
35PAK1_HUMAN31 100% 0.30 PF00069 61.60 - (0)? 7 / 19 / 5 21
36NTRK1_HUMAN24 100% 0.21 PF18613 64.60 - (0)? 13 / 11 / - 21
37CDK8_HUMAN23 100% 0.43 PF00069 69.50 - (0)? 3 / 14 / 4 21
38PAK3_HUMAN30 95% 0.29 PF00069 61.90 - (0)? 7 / 18 / 5 20
39TGFR1_HUMAN23 100% 0.35 PF08515 73.60 - (0)? 3 / 14 / 5 20
40TYK2_HUMAN21 100% 0.24 PF07714 71.70 - (0)? 2 / 17 / 2 20
41PAK2_HUMAN30 91% 0.32 PF00069 64.70 - (0)? 7 / 15 / 8 19
42MP2K1_HUMAN36 100% 0.48 PF00069 50.60 - (0)? 3 / 22 / 11 19
43DAPK1_HUMAN42 100% 0.12 PF00069 71.80 - (0)? 1 / 12 / 24 19
44IRAK4_HUMAN33 100% 0.30 PF07714 80.20 - (0)? 6 / 25 / 2 19
45NEK2_HUMAN19 100% 0.30 PF00069 81.30 - (0)? 1 / 17 / 1 19
46M3K7_HUMAN18 92% 0.22 PF07714 75.10 - (0)? 5 / 9 / 4 18
47PAK4_HUMAN23 99% 0.29 PF00069 75.40 - (0)? 1 / 15 / 6 17
48JAK1_HUMAN32 99% 0.15 PF07714 79.50 - (0)? - / 23 / 9 17
49MELK_HUMAN19 100% 0.26 PF00069 76.50 - (0)? 4 / 14 / 1 17
50TNIK_HUMAN22 100% 0.12 PF00069 75.30 - (0)? 1 / 19 / 2 16

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