Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_MOUSE_I50_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 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]
1M_NR3B3_ERR324 100% 0.633 PF00105 C5_S145 - (0)15 2 / 20 / 2 8
2M_NR1B3_RARG32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15
3M_NR3C4_ANDR137 100% 0.756 PF00105 C2_S1192 - (0)20 8 / 114 / 14 44
4M_NR1B1_RARA32 100% 0.581 PF00105 C6_S150 - (0)20 22 / 8 / 2 15
5M_NR1A2_THB16 100% 0.555 PF00105 C2_S139 - (0)9 5 / 11 / - 6
6M_NR1B2_RARB32 100% 0.528 PF00105 C3_S150 - (0)20 22 / 8 / 2 15
7M_NR2B1_RXRA76 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31
8M_NR5A2_LRH116 100% 0.801 PF00105 C2_S129 - (0)15 7 / 8 / 2 9
9M_NR1F1_RORA38 100% 0.806 PF00105 C2_S156 - (0)20 2 / 31 / 4 15
10M_NR1H3_LXRa37 99% 0.585 PF00105 C3_S162 - (0)20 21 / 10 / 6 13
11M_NR1F2_RORB21 99% 0.834 PF00105 C1_S139 - (0)20 2 / 19 / 1 16
12M_NR3C1_GCR90 99% 0.633 PF00105 C1_S1112 - (0)20 19 / 68 / 3 29
13M_NR1I1_VDR73 99% 0.553 PF00105 C1_S185 - (0)20 70 / 3 / - 55
14M_NR1H2_LXRb33 99% 0.662 PF00105 C2_S155 - (0)20 19 / 8 / 4 15
15M_NR5A1_STF116 99% 0.648 PF00105 C4_S128 - (0)14 13 / 3 / - 9
16M_NR1C3_PPARG201 98% 0.615 PF00105 C3_S1240 - (0)20 58 / 87 / 53 105
17M_NR2B3_RXRG80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31
18M_NR3B1_ERR125 98% 0.568 PF00105 C2_S132 - (0)16 3 / 19 / 3 9
19M_NR1H4_FXR40 98% 0.697 PF00105 C2_S158 - (0)20 33 / 4 / 3 17
20M_NR2B2_RXRB77 98% 0.552 PF00105 C2_S193 - (0)19 21 / 38 / 10 31
21M_NR3A1_ESR1219 97% 0.754 PF00105 C4_S1240 - (0)20 33 / 148 / 36 85
22M_NR3A2_ESR2191 97% 0.666 PF00105 C3_S1212 - (0)20 28 / 132 / 30 77
23M_NR3C3_PRGR167 96% 0.822 PF00105 C2_S1224 - (0)20 17 / 132 / 18 39
24M_NR3C2_MCR167 95% 0.613 PF00105 C5_S1213 - (0)20 9 / 129 / 28 33
25M_NR1C2_PPARD138 94% 0.678 PF00105 C4_S1248 - (0)20 18 / 70 / 48 63
26M_NR1C1_PPARA208 92% 0.825 PF00105 C6_S1251 - (0)20 22 / 99 / 87 71
27M_NR1F3_RORG34 91% 0.632 PF00105 C2_S156 - (0)20 9 / 24 / 2 15
28M_NR1A1_THA17 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7
29M_NR1I2_PXR12 81% 0.633 PF00105 C1_S132 - (0)11 - / 6 / 6 6
30M_NR3B2_ERR223 74% 0.639 PF00105 C5_S134 - (0)15 - / 17 / 6 8

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