Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I60_2019M4 (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_NR1A1_THRa16 80% 0.23 PF00105 C1_S116 - (0)10 - / 16 / - 7
2H_NR1A2_THRb16 100% 0.29 PF00105 C1_S116 - (0)10 6 / 10 / - 7
3H_NR1B1_RARa32 100% 0.33 PF00105 C1_S133 - (0)20 22 / 8 / 2 18
4H_NR1B2_RARb32 100% 0.32 PF00105 C1_S133 - (0)20 22 / 8 / 2 18
5H_NR1B3_RARg32 100% 0.49 PF00105 C1_S133 - (0)20 22 / 9 / 1 18
6H_NR1C1_PPARa275 100% 0.47 PF00105 C1_S1376 - (0)20 48 / 124 / 99 156
7H_NR1C2_PPARb243 100% 0.49 PF00105 C1_S1326 - (0)20 65 / 98 / 79 146
8H_NR1C3_PPARg324 100% 0.44 PF00105 C1_S1550 - (0)20 91 / 145 / 84 185
9H_NR1D1_REVa2 71% 0.18 -C2_S12 - (0)2 2 / - / - 2
10H_NR1D2_REVb2 99% 0.23 -C2_S12 - (0)2 2 / - / - 2
11H_NR1F1_RORa7 100% 0.36 PF00105 C1_S19 - (0)19 2 / 4 / - 5
12H_NR1F2_RORb7 98% 0.44 PF00105 C1_S19 - (0)18 1 / 6 / - 6
13H_NR1F3_RORg155 100% 0.28 PF00105 C2_S1178 - (0)20 82 / 59 / 14 74
14H_NR1H2_LXRb41 100% 0.45 PF00105 C1_S148 - (0)20 28 / 8 / 3 18
15H_NR1H3_LXRa45 100% 0.37 PF00105 C1_S155 - (0)20 30 / 11 / 4 17
16H_NR1H4_FXR122 100% 0.33 PF00105 C1_S1125 - (0)20 101 / 12 / 9 74
17H_NR1I1_VDR102 84% 0.42 PF00105 C1_S1103 - (0)20 97 / 5 / - 83
18H_NR1I2_PXR3 100% 0.38 PF00105 C1_S13 - (0)3 - / 2 / - 2
19H_NR1I3_CAR2 98% 0.41 PF00105 C1_S12 - (0)2 1 / 1 / - 2
20H_NR2A1_HNF4a7 100% 0.28 PF00105 C1_S17 - (0)5 - / 2 / 5 3
21H_NR2A2_HNF4g7 100% 0.24 PF00105 C1_S17 - (0)5 - / 2 / 5 3
22H_NR2B1_RXRa92 100% 0.38 PF00105 C1_S196 - (0)20 27 / 48 / 12 45
23H_NR2B2_RXRb92 100% 0.26 PF00105 C1_S196 - (0)20 27 / 48 / 12 45
24H_NR2B3_RXRg92 88% 0.32 PF00105 C1_S196 - (0)20 27 / 48 / 13 46
25H_NR2C2_TR41 68% 0.06 PF00105 C1_S11 - (0)1 - / - / 1 1
26H_NR3A1_ERa478 100% 0.34 PF00105 C1_S1514 - (0)20 126 / 312 / 40 220
27H_NR3A2_ERb65 100% 0.28 PF00105 C1_S172 - (0)20 3 / 52 / 10 29
28H_NR3B1_ERRa26 100% 0.28 PF00105 C1_S129 - (0)18 4 / 19 / 3 12
29H_NR3B2_ERRb26 79% 0.27 PF00105 C1_S127 - (0)18 2 / 20 / 4 12
30H_NR3B3_ERRg23 100% 0.32 PF00105 C1_S124 - (0)16 3 / 17 / 2 10
31H_NR3C1_GCR54 99% 0.20 PF00105 C1_S188 - (0)20 23 / 24 / 8 22
32H_NR3C2_MCR41 99% 0.16 PF00105 C1_S148 - (0)20 5 / 36 / 1 19
33H_NR3C3_PRGR39 100% 0.22 PF00105 C1_S141 - (0)20 8 / 31 / - 18
34H_NR3C4_ANDR86 100% 0.21 -C2_S1101 - (0)20 6 / 71 / 9 37
35H_NR4A1_NGFIB24 100% 0.28 PF00105 C1_S124 - (0)2 - / - / 2 1
36H_NR5A1_STF18 99% 0.32 PF00105 C1_S18 - (0)15 7 / 1 / - 7
37H_NR5A2_LRH123 100% 0.29 PF00105 C1_S129 - (0)17 18 / 5 / - 11

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