Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_ZFISH_I60_2019M6 (2019 - Zebrafish (Danio rerio) - 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]
1Z_NR1C1_PPARa2322 79% 0.38 PF00105 61.00 - (0)? 57 / 119 / 130 174
2Z_NR1B3_RARGB36 93% 0.45 PF00105 89.30 - (0)? 25 / 9 / 2 18
3Z_NR1B1_RARAB37 92% 0.32 PF00105 86.00 - (0)? 25 / 8 / 4 18
4Z_NR3C3_PRGR40 66% 0.47 PF00105 73.80 - (0)? 2 / 26 / 12 20
5Z_NR2B2_RXRBA96 94% 0.29 PF00105 82.70 - (0)? 28 / 51 / 12 45
6Z_NR3A1_ESR1470 64% 0.27 PF00105 75.60 - (0)? 108 / 320 / 42 213
7Z_NR1C2_PPARb1139 78% 0.50 PF00105 71.50 - (0)? 51 / 69 / 18 77
8Z_NR1A1_THAA17 88% 0.36 PF00105 86.50 - (0)? 5 / 12 / - 7
9Z_NR1A2_THB17 90% 0.36 PF00105 85.90 - (0)? 6 / 11 / - 7
10Z_NR1B3_ARGA36 94% 0.44 PF00105 89.30 - (0)? 25 / 9 / 2 18
11Z_NR2B3_RXRGA96 94% 0.32 PF00105 81.20 - (0)? 28 / 51 / 13 46
12Z_NR3A2_ESR2a69 69% 0.29 PF00105 76.90 - (0)? 3 / 53 / 11 31
13Z_NR1B1_RARAA37 92% 0.33 PF00105 86.00 - (0)? 25 / 8 / 4 18
14Z_NR1C3_PPARg234 71% 0.32 PF00105 69.30 - (0)? 10 / 97 / 114 135
15Z_NR1I1_VDRB108 88% 0.31 PF00105 87.70 - (0)? 102 / 6 / - 83
16Z_NR2B1_RXRAB97 97% 0.48 PF00105 83.50 - (0)? 28 / 52 / 12 46
17Z_NR2B2_RXRBB96 88% 0.35 PF00105 86.20 - (0)? 29 / 49 / 14 45
18Z_NR3A2_ESR2b73 71% 0.24 PF00105 79.00 - (0)? 4 / 59 / 11 33
19Z_NR1C2_PPARb2272 85% 0.52 PF00105 63.30 - (0)? 50 / 107 / 98 153
20Z_NR1I1_VDRA108 100% 0.32 PF00105 87.20 - (0)? 102 / 6 / - 83
21Z_NR2B3_RXRGB96 92% 0.31 PF00105 82.80 - (0)? 27 / 52 / 13 46
22Z_NR2B1_RXRAA96 99% 0.41 PF00105 83.30 - (0)? 28 / 51 / 12 45

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