Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I60_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_NR1C3_PPARg446 100% 0.44 PF00105 C1_S1725 - (0)20 125 / 185 / 129 223
2H_NR1C1_PPARa391 100% 0.47 PF00105 C1_S1541 - (0)20 63 / 172 / 142 183
3H_NR3A1_ERa485 100% 0.34 PF00105 C1_S1492 - (0)20 154 / 299 / 29 221
4H_NR1C2_PPARb349 100% 0.53 PF00105 C1_S1483 - (0)20 74 / 144 / 124 172
5H_NR1F3_RORg217 100% 0.28 PF00105 C1_S1277 - (0)20 133 / 68 / 16 98
6H_NR1I1_VDR157 84% 0.42 PF00105 C1_S1158 - (0)20 145 / 12 / - 123
7H_NR1H4_FXR130 100% 0.33 PF00105 C1_S1133 - (0)20 104 / 17 / 9 54
8H_NR2B3_RXRg119 100% 0.36 PF00105 C1_S1128 - (0)20 32 / 63 / 17 51
9H_NR2B1_RXRa121 100% 0.46 PF00105 C1_S1126 - (0)20 32 / 63 / 17 53
10H_NR3C4_ANDR101 100% 0.21 -C2_S1119 - (0)20 6 / 81 / 14 32
11H_NR3C1_GCR69 99% 0.20 PF00105 C1_S1109 - (0)20 24 / 32 / 8 25
12H_NR2B2_RXRb108 100% 0.35 PF00105 C1_S1106 - (0)20 27 / 53 / 14 47
13H_NR1H3_LXRa76 100% 0.45 PF00105 C1_S183 - (0)20 43 / 24 / 6 28
14H_NR3C2_MCR63 99% 0.16 PF00105 C1_S177 - (0)20 9 / 49 / 1 26
15H_NR3A2_ERb68 100% 0.28 PF00105 C1_S177 - (0)20 3 / 53 / 12 29
16H_NR1H2_LXRb72 100% 0.57 PF00105 C1_S175 - (0)20 41 / 20 / 5 28
17H_NR1I2_PXR50 100% 0.43 PF00105 C1_S162 - (0)20 5 / 31 / 13 30
18H_NR3C3_PRGR45 100% 0.22 PF00105 C1_S155 - (0)20 8 / 31 / 4 18
19H_NR3B1_ERRa43 100% 0.28 PF00105 C1_S150 - (0)20 4 / 28 / 8 18
20H_NR3B3_ERRg42 100% 0.32 PF00105 C1_S146 - (0)20 6 / 26 / 6 18
21H_NR3B2_ERRb43 98% 0.27 PF00105 C1_S143 - (0)20 1 / 25 / 9 17
22H_NR1B1_RARa34 100% 0.33 PF00105 C1_S141 - (0)20 21 / 7 / 8 14
23H_NR1B2_RARb34 100% 0.32 PF00105 C1_S140 - (0)20 22 / 7 / 7 14
24H_NR1A1_THRa35 100% 0.20 PF00105 C1_S135 - (0)16 - / 33 / 2 10
25H_NR1B3_RARg34 100% 0.49 PF00105 C1_S135 - (0)20 24 / 9 / 1 19
26H_NR1A2_THRb35 100% 0.29 PF00105 C1_S135 - (0)16 8 / 27 / - 10
27H_NR5A2_LRH131 100% 0.29 PF00105 C1_S135 - (0)20 19 / 10 / - 16
28H_NR4A1_NGFIB27 100% 0.28 PF00105 C1_S129 - (0)3 - / - / 3 1
29H_NR4A2_NURR137 100% 0.28 PF00105 C1_S129 - (0)3 - / - / 1 0
30H_NR1F1_RORa21 100% 0.36 PF00105 C1_S122 - (0)19 4 / 13 / 2 15
31H_NR1F2_RORb21 98% 0.44 PF00105 C1_S121 - (0)18 2 / 17 / - 16
32H_NR5A1_STF120 99% 0.32 PF00105 C1_S120 - (0)17 14 / 5 / - 13
33H_NR1D2_REVb18 99% 0.25 PF00105 C2_S116 - (0)3 6 / - / - 2
34H_NR1D1_REVa18 100% 0.19 PF00105 C2_S116 - (0)3 6 / - / - 2
35H_NR2F6_EAR220 71% 0.38 PF00105 C1_S115 - (0)? - / - / - 0
36H_NR4A3_NOR123 66% 0.24 PF00105 C1_S115 - (0)2 - / - / - 0
37H_NR2E3_PNR20 99% 0.26 PF00105 C1_S113 - (0)? - / - / - 0
38H_NR2F2_COT220 99% 0.44 PF00105 C1_S112 - (0)1 - / 1 / - 0
39H_NR2F1_COT120 96% 0.28 PF00105 C1_S111 - (0)1 - / - / 1 1
40H_NR2E1_TLX18 98% 0.39 PF00105 C1_S111 - (0)? - / - / - 0
41H_NR1I3_CAR20 98% 0.39 PF00105 C1_S111 - (0)3 1 / 2 / - 2
42H_NR2A2_HNF4g20 100% 0.37 PF00105 C1_S110 - (0)5 - / 2 / 5 3
43H_NR2A1_HNF4a20 100% 0.37 PF00105 C1_S17 - (0)5 - / 2 / 5 3
44H_NR0B1_DAX11 68% 0.21 PF00105 C1_S15 - (0)? - / - / - 0
45H_NR0B2_SHP15 81% 0.43 PF00105 C1_S14 - (0)? - / - / - 0
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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