Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I70_201604 (Apr 2016)

Download : Data.csv | 3D Models


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_NR1I1_VDR54 100% 0.780 PF00105 C3_S167 - (0)20 52 / 2 / - 43
2H_NR2B2_RXRb79 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31
3H_NR3A1_ESRa178 100% 0.709 PF00105 C6_S1206 - (0)20 33 / 119 / 29 80
4H_NR1B1_RARa32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15
5H_NR1C1_PPARa19 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14
6H_NR3C1_GCR39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 12
7H_NR1F3_RORg30 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15
8H_NR3C4_ANDR76 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24
9H_NR1C2_PPARb34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17
10H_NR1H2_LXRb38 100% 0.674 PF00105 C4_S154 - (0)20 19 / 8 / 4 15
11H_NR1C3_PPARg165 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 101
12H_NR3A2_ESRb63 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29
13H_NR1H3_LXRa38 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13
14H_NR1B3_RARg32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15
15H_NR2B3_RXRg79 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31
16H_NR1H4_FXR40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20
17H_NR1B2_RARb32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15
18H_NR3C3_PRGR32 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16
19H_NR2B1_RXRa76 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31
20H_NR3C2_MCR30 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10
21H_NR3B3_ERRg25 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7
22H_NR3B2_ERRb26 79% 0.623 PF00105 C5_S132 - (0)13 - / 15 / 6 7
23H_NR5A2_LRH116 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9
24H_NR1A1_THRa16 88% 0.453 PF00105 C1_S139 - (0)10 - / 16 / - 7
25H_NR1A2_THRb15 100% 0.525 PF00105 C1_S139 - (0)9 5 / 10 / - 6

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