Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I50_201611 (Nov 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_VDR82 100% 0.837 PF00105 C3_S191 - (0)20 78 / 4 / - 59
2H_NR1C2_PPARb171 100% 0.807 PF00105 C4_S1273 - (0)20 24 / 88 / 58 98
3H_NR3C4_ANDR143 100% 0.818 PF00105 C2_S1198 - (0)20 8 / 117 / 17 49
4H_NR1C3_PPARg211 100% 0.607 PF00105 C5_S1253 - (0)20 62 / 89 / 57 121
5H_NR3C3_PGR177 100% 0.843 PF00105 C4_S1238 - (0)20 21 / 137 / 19 58
6H_NR1B2_RARb32 100% 0.544 PF00105 C4_S149 - (0)20 23 / 7 / 2 16
7H_NR3A1_ESRa237 100% 0.827 PF00105 C5_S1259 - (0)20 62 / 159 / 16 117
8H_NR1H2_LXRb42 100% 0.679 PF00105 C5_S168 - (0)20 28 / 8 / 4 18
9H_NR2B2_RXRb73 100% 0.749 PF00105 C4_S197 - (0)20 23 / 39 / 9 37
10H_NR1F1_RORa63 100% 0.834 PF00105 C3_S194 - (0)20 6 / 36 / 20 25
11H_NR1C1_PPARa221 100% 0.835 PF00105 C5_S1270 - (0)20 23 / 97 / 99 115
12H_NR1H3_LXRa46 100% 0.732 PF00105 C4_S173 - (0)20 30 / 10 / 6 17
13H_NR3C1_GCR96 99% 0.616 PF00105 C4_S1130 - (0)20 20 / 70 / 7 33
14H_NR3A2_ESRb267 100% 0.678 PF00105 C4_S1300 - (0)20 35 / 198 / 36 126
15H_NR1B3_RARg32 100% 0.889 PF00105 C4_S148 - (0)20 23 / 8 / 1 16
16H_NR1H4_FXR41 100% 0.727 PF00105 C4_S163 - (0)20 34 / 5 / 3 28
17H_NR3C2_MCR176 99% 0.613 PF00105 C5_S1226 - (0)20 12 / 138 / 28 47
18H_NR1B1_RARa32 100% 0.592 PF00105 C6_S147 - (0)20 23 / 7 / 2 16
19H_NR1F3_RORg60 100% 0.607 PF00105 C3_S182 - (0)20 13 / 39 / 8 25
20H_NR2B1_RXRa76 100% 0.663 PF00105 C5_S197 - (0)20 23 / 39 / 9 37
21H_NR2B3_RXRg73 100% 0.523 PF00105 C3_S197 - (0)19 23 / 39 / 10 37
22H_NR1F2_RORb13 98% 0.842 PF00105 C1_S139 - (0)19 1 / 15 / 7 16
23H_NR5A2_LRH124 100% 0.670 PF00105 C2_S145 - (0)17 19 / 5 / - 12
24H_NR3B1_ERRa26 100% 0.569 PF00105 C2_S152 - (0)17 3 / 19 / 3 10
25H_NR5A1_STF122 99% 0.607 PF00105 C3_S129 - (0)16 16 / 5 / 1 10
26H_NR3B2_ERRb22 79% 0.597 PF00105 C3_S131 - (0)14 - / 16 / 5 8
27H_NR3B3_ERRg23 100% 0.639 PF00105 C5_S147 - (0)14 1 / 19 / 2 8
28H_NR1A2_THRb17 100% 0.536 PF00105 C1_S138 - (0)10 6 / 11 / - 7
29H_NR1A1_THRa17 88% 0.491 PF00105 C1_S138 - (0)10 - / 17 / - 7

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