Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I60_2019M8 (2019 - Homo sapiens - Human family of nuclear receptors)

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]
1H_NR3C4_ANDR101 100% 0.21 -63.90 - (0)? 6 / 81 / 14 38
2H_NR1D1_REVa2 71% 0.18 -100.00 - (0)? 2 / - / - 2
3H_NR1D2_REVb2 99% 0.23 -100.00 - (0)? 2 / - / - 2
4H_NR3C2_MCR49 99% 0.16 PF00105 72.20 - (0)? 9 / 40 / 1 23
5H_NR5A2_LRH125 100% 0.30 PF00105 86.20 - (0)? 20 / 5 / - 12
6H_NR4A1_NGFIB27 100% 0.28 PF00105 50.00 - (0)? - / - / 3 2
7H_NR4A2_NURR127 65% 0.27 PF00105 100.00 - (0)? - / - / 1 1
8H_NR1I1_VDR147 84% 0.42 PF00105 87.40 - (0)? 137 / 10 / - 119
9H_NR3C1_GCR58 99% 0.20 PF00105 70.80 - (0)? 24 / 27 / 8 22
10H_NR3C3_PRGR45 100% 0.22 PF00105 74.50 - (0)? 8 / 31 / 4 20
11H_NR3B3_ERRg24 100% 0.32 PF00105 62.40 - (0)? 3 / 17 / 3 10
12H_NR1I2_PXR25 100% 0.42 PF00105 63.40 - (0)? 3 / 18 / 4 13
13H_NR3B1_ERRa27 100% 0.28 PF00105 70.30 - (0)? 4 / 19 / 4 12
14H_NR3B2_ERRb27 79% 0.27 PF00105 69.50 - (0)? 2 / 20 / 5 12
15H_NR3A1_ERa502 100% 0.34 PF00105 79.10 - (0)? 132 / 327 / 43 214
16H_NR1C2_PPARb262 100% 0.53 PF00105 59.10 - (0)? 66 / 106 / 87 153
17H_NR1C1_PPARa294 100% 0.47 PF00105 56.30 - (0)? 49 / 135 / 104 163
18H_NR1I3_CAR3 98% 0.41 PF00105 86.90 - (0)? 1 / 2 / - 2
19H_NR1A1_THRa30 100% 0.20 PF00105 84.20 - (0)? - / 28 / 2 9
20H_NR1A2_THRb30 100% 0.29 PF00105 83.20 - (0)? 8 / 22 / - 9
21H_NR1B1_RARa32 100% 0.33 PF00105 88.80 - (0)? 22 / 8 / 2 18
22H_NR1B2_RARb32 100% 0.32 PF00105 89.80 - (0)? 22 / 8 / 2 18
23H_NR1B3_RARg32 100% 0.49 PF00105 89.40 - (0)? 22 / 9 / 1 18
24H_NR1C3_PPARg345 100% 0.44 PF00105 70.10 - (0)? 99 / 153 / 89 194
25H_NR3A2_ERb68 100% 0.28 PF00105 78.10 - (0)? 3 / 53 / 12 30
26H_NR1F1_RORa7 100% 0.36 PF00105 87.80 - (0)? 2 / 4 / - 5
27H_NR1F2_RORb7 98% 0.44 PF00105 86.40 - (0)? 1 / 6 / - 6
28H_NR1H4_FXR126 100% 0.33 PF00105 51.90 - (0)? 102 / 15 / 9 75
29H_NR1H2_LXRb47 100% 0.45 PF00105 68.50 - (0)? 31 / 11 / 3 20
30H_NR1H3_LXRa52 100% 0.37 PF00105 66.40 - (0)? 33 / 15 / 4 20
31H_NR1F3_RORg155 100% 0.28 PF00105 59.00 - (0)? 82 / 59 / 14 74
32H_NR2A1_HNF4a7 100% 0.28 PF00105 92.30 - (0)? - / 2 / 5 3
33H_NR2A2_HNF4g7 100% 0.24 PF00105 94.00 - (0)? - / 2 / 5 3
34H_NR2B1_RXRa97 100% 0.38 PF00105 85.80 - (0)? 27 / 52 / 12 46
35H_NR2B2_RXRb97 100% 0.27 PF00105 82.10 - (0)? 27 / 53 / 12 46
36H_NR2B3_RXRg97 88% 0.32 PF00105 83.00 - (0)? 27 / 52 / 13 47
37H_NR5A1_STF111 99% 0.32 PF00105 90.40 - (0)? 10 / 1 / - 9

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