Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_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_NR3A1_ERa177 100% 0.827 PF00105 C6_S1204 - (0)20 33 / 120 / 28 80
2H_NR1C3_PPARg165 100% 0.607 PF00105 C2_S1199 - (0)20 54 / 63 / 47 103
3H_NR3C4_ANDR76 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24
4H_NR2B1_RXRa68 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31
5H_NR3A2_ERb62 100% 0.678 PF00105 C6_S186 - (0)20 4 / 51 / 10 29
6H_NR1H3_LXRa15 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13
7H_NR1H4_FXR40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20
8H_NR1F3_RORg30 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15
9H_NR3C3_PRGR31 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16
10H_NR1H2_LXRb24 100% 0.674 PF00105 C4_S154 - (0)20 19 / 8 / 4 15
11H_NR1C2_PPARb33 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17
12H_NR1B1_RARa8 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15
13H_NR1B3_RARg10 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15
14H_NR1B2_RARb14 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15
15H_NR3C1_GCR33 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 12
16H_NR3B3_ERRg25 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7
17H_NR1A2_THRb15 100% 0.525 PF00105 C1_S139 - (0)9 5 / 10 / - 6
18H_NR1C1_PPARa19 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14
19H_NR3C2_MCR26 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10
20H_NR5A2_LRH113 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9

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