Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_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_NR3A1_ERa502 100% 0.34 PF00105 C1_S1538 - (0)20 132 / 327 / 43 221
2H_NR1H4_FXR126 100% 0.33 PF00105 C1_S1129 - (0)20 102 / 15 / 9 75
3H_NR1C3_PPARg247 100% 0.44 PF00105 C1_S1296 - (0)20 82 / 84 / 78 150
4H_NR1F3_RORg155 100% 0.29 PF00105 C1_S1178 - (0)20 82 / 59 / 14 74
5H_NR2B1_RXRa89 100% 0.38 PF00105 C1_S194 - (0)20 23 / 50 / 11 44
6H_NR3C1_GCR44 99% 0.20 PF00105 C1_S177 - (0)20 22 / 15 / 8 18
7H_NR1H2_LXRb32 100% 0.45 PF00105 C1_S139 - (0)20 19 / 8 / 3 14
8H_NR1C1_PPARa26 100% 0.48 PF00105 C1_S127 - (0)20 13 / 10 / 3 17
9H_NR5A2_LRH118 100% 0.27 PF00105 C1_S124 - (0)14 13 / 5 / - 8
10H_NR1H3_LXRa15 100% 0.37 PF00105 C1_S115 - (0)20 11 / 4 / - 9
11H_NR3C2_MCR35 99% 0.16 PF00105 C1_S141 - (0)20 9 / 26 / 1 20
12H_NR1B2_RARb14 100% 0.32 PF00105 C1_S114 - (0)19 9 / 5 / - 5
13H_NR3C3_PRGR33 100% 0.23 PF00105 C1_S135 - (0)20 8 / 25 / - 16
14H_NR1B3_RARg10 100% 0.45 PF00105 C1_S110 - (0)16 8 / 2 / - 9
15H_NR5A1_STF18 99% 0.32 PF00105 C1_S18 - (0)17 8 / - / - 6
16H_NR1A2_THRb22 100% 0.29 PF00105 C1_S122 - (0)14 7 / 15 / - 9
17H_NR3C4_ANDR97 100% 0.21 -C1_S1110 - (0)20 6 / 77 / 14 35
18H_NR1B1_RARa8 100% 0.30 PF00105 C1_S19 - (0)18 5 / 1 / 2 6
19H_NR2B2_RXRb5 100% 0.30 PF00105 C1_S15 - (0)12 4 / - / 1 2
20H_NR3A2_ERb68 100% 0.28 PF00105 C1_S177 - (0)20 3 / 53 / 12 30
21H_NR1I2_PXR25 100% 0.42 PF00105 C1_S126 - (0)19 3 / 18 / 4 13
22H_NR3B3_ERRg21 100% 0.32 PF00105 C1_S123 - (0)14 3 / 14 / 3 8
23H_NR1F1_RORa4 100% 0.36 PF00105 C1_S16 - (0)19 2 / 2 / - 3
24H_NR3B1_ERRa3 100% 0.28 PF00105 C1_S13 - (0)13 2 / 1 / - 2
25H_NR1D2_REVb2 99% 0.23 -C2_S12 - (0)2 2 / - / - 2
26H_NR1I3_CAR1 98% 0.41 PF00105 C1_S11 - (0)2 1 / - / - 1
27H_NR1A1_THRa8 100% 0.22 PF00105 C1_S18 - (0)11 - / 8 / - 4
28H_NR1F2_RORb3 98% 0.44 PF00105 C1_S13 - (0)18 - / 3 / - 3
29H_NR2A1_HNF4a6 100% 0.28 PF00105 C1_S16 - (0)5 - / 2 / 4 2
30H_NR2A2_HNF4g1 100% 0.24 PF00105 C1_S11 - (0)4 - / 1 / - 1
31H_NR1C2_PPARb58 100% 0.49 PF00105 C1_S1135 - (0)10 - / - / 37 4
32H_NR4A1_NGFIB27 100% 0.27 PF00105 C1_S129 - (0)3 - / - / 3 2

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