Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_XENOPE_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 (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]
1X_NR1C1_PPARA205 89% 0.812 PF00105 C5_S1256 - (0)20 23 / 95 / 87 74
2X_NR1C2_PPARD198 70% 0.524 PF00105 C4_S1251 - (0)20 23 / 101 / 71 72
3X_NR1C3_PPARG187 85% 0.443 PF00105 C5_S1235 - (0)20 2 / 59 / 122 69
4X_NR3A1_ESR1187 83% 0.607 PF00105 C3_S1208 - (0)20 26 / 128 / 31 79
5X_NR3C1_GCR159 77% 0.584 PF00105 C5_S1201 - (0)20 15 / 125 / 19 33
6X_NR3C2_MCR164 84% 0.625 PF00105 C4_S1200 - (0)20 9 / 124 / 32 33
7X_NR2B3_RXRG74 95% 0.557 PF00105 C5_S193 - (0)20 21 / 38 / 11 31
8X_NR2B1_RXRA76 97% 0.655 PF00105 C4_S192 - (0)20 21 / 38 / 10 31
9X_NR1I1_VDR73 82% 0.552 PF00105 C4_S188 - (0)20 70 / 3 / - 55
10X_NR1B1_RARA32 92% 0.566 PF00105 C4_S150 - (0)20 22 / 8 / 2 15
11X_NR1B3_RARG32 93% 0.827 PF00105 C4_S150 - (0)20 23 / 8 / 1 15
12X_NR1A2_THBB16 97% 0.554 PF00105 C3_S139 - (0)9 5 / 11 / - 6
13X_NR1A1_THAA16 95% 0.557 PF00105 C2_S139 - (0)9 4 / 12 / - 6
14X_NR1A1_THAB16 95% 0.557 PF00105 C4_S139 - (0)9 4 / 12 / - 6
15X_NR1A2_THBA16 98% 0.562 PF00105 C3_S138 - (0)9 5 / 11 / - 6

<< Page / 1 >> - Show