Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB_PF00105_NR (Mar 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
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
50PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
51PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
52PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
53PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
54PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29
55PF00105_MCR_RAT32 94% 0.590 PF00105 C3_S134 - (0)16 2 / 25 / 2 10--
56PF00105_STF1_HUMAN20 99% 0.597 PF00105 C2_S125 - (0)12 10 / 2 / - 9--
57PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
58PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
59PF00105_THA_HUMAN20 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7 79 0.02
60PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
61PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
62PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
63PF00105_THB_HUMAN19 100% 0.525 PF00105 C1_S139 - (0)9 5 / 11 / - 6 86 0.16
64PF00105_THB_RAT19 100% 0.556 PF00105 C3_S139 - (0)9 5 / 11 / - 6--
65PF00105_THA_CHICK19 100% 0.538 PF00105 C2_S138 - (0)9 4 / 12 / - 6--
66PF00105_ECR_AEDAE20 72% 0.432 PF00105 C3_S133 - (0)6 5 / 4 / - 5--
67PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
68PF00105_ECR_LUCCU20 73% 0.448 PF00105 C1_S133 - (0)6 5 / 4 / 1 4--
69PF00105_NR1I2_HUMAN20 100% 0.668 PF00105 C2_S129 - (0)5 1 / 3 / - 4--
70PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
71PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--
72PF00105_NR1I3_HUMAN20 100% 0.612 PF00105 C2_S125 - (0)2 1 / 1 / - 2--
73PF00105_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--
74PF00105_NR1D2_HUMAN20 98% 0.674 PF00105 C3_S133 - (0)1 1 / - / - 1--
75PF00105_NR1D1_HUMAN20 73% 0.472 PF00105 C2_S131 - (0)1 1 / - / - 1--
76PF00105_NR4A2_HUMAN20 100% 0.714 PF00105 21 - (0)? - / - / - 0--
77PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
78PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
79PF00105_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
80PF00105_NR2C2_HUMAN20 38% 0.373 PF00105 13 - (0)? - / - / - 0--
81PF00105_NR4A1_HUMAN25 100% 0.668 PF00105 C5_S125 - (0)2 - / - / 2 0--

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