Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I30_201601 (Jan 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 (All) 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_PPARg202 100% 0.617 PF00105 C3_S1242 - (0)20 58 / 88 / 53 103
2H_NR3A2_ESRb191 100% 0.646 PF00105 C4_S1221 - (0)20 28 / 133 / 30 78
3H_NR3A1_ESRa182 100% 0.738 PF00105 C6_S1189 - (0)20 33 / 118 / 29 75
4H_NR1C1_PPARa202 100% 0.804 PF00105 C3_S1240 - (0)20 23 / 99 / 79 71
5H_NR1C2_PPARb158 100% 0.816 PF00105 C3_S1255 - (0)20 19 / 86 / 52 71
6H_NR1I1_VDR73 100% 0.780 PF00105 C2_S1188 - (0)20 70 / 3 / - 55
7H_NR3C4_ANDR154 100% 0.795 PF00105 C2_S1226 - (0)20 12 / 120 / 17 48
8H_NR3C3_PRGR167 100% 0.821 PF00105 C3_S1223 - (0)20 17 / 131 / 19 41
9H_NR3C1_GCR158 99% 0.612 PF00105 C4_S1200 - (0)20 20 / 113 / 18 34
10H_NR3C2_MCR170 99% 0.590 PF00105 C5_S1209 - (0)20 9 / 131 / 28 32
11H_NR2B1_RXRa81 100% 0.659 PF00105 C3_S1175 - (0)20 22 / 42 / 10 32
12H_NR2B2_RXRb87 100% 0.574 PF00105 C3_S1160 - (0)20 21 / 43 / 10 32
13H_NR2B3_RXRg82 100% 0.530 PF00105 C3_S1168 - (0)20 23 / 38 / 11 31
14H_NR1H4_FXR40 100% 0.717 PF00105 C3_S1194 - (0)20 33 / 4 / 3 23
15H_NR1F2_RORb38 98% 0.835 PF00105 C2_S169 - (0)20 2 / 31 / 5 17
16H_NR1F3_RORg38 100% 0.620 PF00105 C4_S190 - (0)20 8 / 27 / 3 16
17H_NR1H2_LXRb39 100% 0.665 PF00105 C4_S1189 - (0)20 19 / 8 / 4 15
18H_NR1B3_RARg32 100% 0.868 PF00105 C4_S1192 - (0)20 21 / 9 / 2 15
19H_NR1B2_RARb32 100% 0.526 PF00105 C2_S1185 - (0)20 21 / 8 / 3 15
20H_NR1B1_RARa32 100% 0.576 PF00105 C5_S1178 - (0)20 21 / 8 / 3 15
21H_NR1F1_RORa38 100% 0.806 PF00105 C2_S186 - (0)20 2 / 31 / 4 15
22H_NR1H3_LXRa40 100% 0.556 PF00105 C2_S1183 - (0)20 21 / 10 / 6 13
23H_NR5A2_LRH125 100% 0.675 PF00105 C2_S1131 - (0)15 13 / 3 / 1 9
24H_NR5A1_STF121 99% 0.597 PF00105 C2_S155 - (0)14 13 / 3 / - 9
25H_NR3B1_ERRa31 100% 0.582 PF00105 C2_S1227 - (0)17 3 / 19 / 4 9
26H_NR3B2_ERRb30 79% 0.623 PF00105 C5_S1264 - (0)15 - / 17 / 7 8
27H_NR3B3_ERRg31 100% 0.633 PF00105 C5_S1259 - (0)17 2 / 20 / 4 8
28H_NR1A1_THRa20 90% 0.523 PF00105 C4_S1137 - (0)10 - / 17 / - 7
29H_NR1A2_THRb19 100% 0.545 PF00105 C2_S1142 - (0)9 5 / 11 / - 6
30H_NR1I2_PXR20 100% 0.668 PF00105 C4_S1170 - (0)5 1 / 3 / - 4

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