Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_2021M5 (2021 - 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_NR1H2_LXRb56 100% 0.57 PF00105 C1_S160 - (0)20 29 / 17 / 5 22
2H_NR1I1_VDR20 83% 0.50 PF00105 C1_S120 - (0)20 20 / - / - 18
3H_NR1C2_PPARb65 100% 0.49 PF00105 C1_S1136 - (0)12 - / - / 37 4
4H_NR1B3_RARg19 100% 0.49 PF00105 C1_S119 - (0)17 14 / 5 / - 14
5H_NR1C1_PPARa73 100% 0.48 PF00105 C1_S1103 - (0)20 23 / 29 / 18 32
6H_NR2B1_RXRa110 100% 0.46 PF00105 C1_S1114 - (0)20 28 / 58 / 16 51
7H_NR1H3_LXRa26 100% 0.46 PF00105 C1_S126 - (0)20 17 / 7 / - 15
8H_NR1F2_RORb20 98% 0.44 PF00105 C1_S119 - (0)18 2 / 16 / - 16
9H_NR2F2_COT220 99% 0.44 PF00105 C1_S112 - (0)1 - / 1 / - 0
10H_NR1C3_PPARg299 100% 0.44 PF00105 C1_S1352 - (0)20 98 / 102 / 94 171
11H_NR0B2_SHP15 81% 0.43 PF00105 C1_S14 - (0)? - / - / - 0
12H_NR1I2_PXR50 100% 0.43 PF00105 C1_S162 - (0)20 5 / 31 / 13 30
13H_NR1I3_CAR20 98% 0.39 PF00105 C1_S114 - (0)2 1 / 1 / - 2
14H_NR2E1_TLX18 98% 0.39 PF00105 C1_S111 - (0)? - / - / - 0
15H_NR2F6_EAR220 71% 0.38 PF00105 C1_S115 - (0)? - / - / - 0
16H_NR2A1_HNF4a20 100% 0.37 PF00105 C1_S17 - (0)5 - / 2 / 5 3
17H_NR1F1_RORa21 100% 0.36 PF00105 C1_S122 - (0)19 4 / 13 / 2 15
18H_NR3A1_ERa485 100% 0.34 PF00105 C1_S1492 - (0)20 154 / 299 / 29 221
19H_NR1H4_FXR130 100% 0.33 PF00105 C1_S1133 - (0)20 104 / 17 / 9 54
20H_NR1B1_RARa21 100% 0.33 PF00105 C1_S122 - (0)18 14 / 5 / 2 14
21H_NR1B2_RARb26 100% 0.32 PF00105 C1_S126 - (0)20 18 / 7 / 1 14
22H_NR5A1_STF120 99% 0.32 PF00105 C1_S120 - (0)17 14 / 5 / - 13
23H_NR2B3_RXRg21 100% 0.32 PF00105 C1_S118 - (0)17 4 / 12 / 2 12
24H_NR3B3_ERRg37 100% 0.31 PF00105 C1_S141 - (0)20 6 / 21 / 6 17
25H_NR2A2_HNF4g20 100% 0.30 PF00105 C1_S115 - (0)4 - / 2 / 2 3
26H_NR5A2_LRH125 100% 0.29 PF00105 C1_S129 - (0)17 13 / 10 / - 13
27H_NR1F3_RORg217 100% 0.29 PF00105 C1_S1277 - (0)20 133 / 68 / 16 99
28H_NR1A2_THRb27 100% 0.29 PF00105 C1_S127 - (0)14 8 / 19 / - 10
29H_NR4A2_NURR124 100% 0.28 PF00105 C1_S115 - (0)3 - / - / 1 0
30H_NR3A2_ERb68 100% 0.28 PF00105 C1_S177 - (0)20 3 / 53 / 12 29
31H_NR3B1_ERRa21 100% 0.28 PF00105 C1_S122 - (0)17 2 / 11 / 3 14
32H_NR2F1_COT120 96% 0.28 PF00105 C1_S111 - (0)1 - / - / 1 1
33H_NR4A1_NGFIB28 100% 0.27 PF00105 C1_S129 - (0)3 - / - / 3 1
34H_NR3B2_ERRb20 98% 0.27 PF00105 C1_S116 - (0)12 - / 6 / 4 8
35H_NR2B2_RXRb21 100% 0.27 PF00105 C1_S119 - (0)12 5 / 9 / 3 9
36H_NR2E3_PNR20 99% 0.26 PF00105 C1_S113 - (0)? - / - / - 0
37H_NR1D2_REVb18 99% 0.25 PF00105 C2_S116 - (0)3 6 / - / - 2
38H_NR4A3_NOR120 65% 0.24 PF00105 C1_S115 - (0)2 - / - / - 0
39H_NR3C3_PRGR35 100% 0.23 PF00105 C1_S137 - (0)20 8 / 27 / - 17
40H_NR1A1_THRa20 100% 0.22 PF00105 C1_S120 - (0)11 - / 19 / 1 8
41H_NR3C4_ANDR97 100% 0.21 -C1_S1110 - (0)20 6 / 77 / 14 30
42H_NR0B1_DAX11 68% 0.21 PF00105 C1_S15 - (0)? - / - / - 0
43H_NR3C1_GCR50 99% 0.20 PF00105 C1_S177 - (0)20 22 / 15 / 8 17
44H_NR1D1_REVa14 100% 0.18 PF00105 C2_S112 - (0)2 2 / - / - 2
45H_NR3C2_MCR41 99% 0.16 PF00105 C1_S145 - (0)20 9 / 30 / 1 20
46H_NR2C1_TR220 72% 0.15 PF00105 C1_S12 - (0)? - / - / - 0
47H_NR2C2_TR420 99% 0.15 PF00105 C1_S12 - (0)? - / - / - 0
48H_NR6A1_GCN119 98% 0.10 PF00105 C1_S11 - (0)? - / - / - 0

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