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_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--
51PF00105_RARA_MOUSE32 100% 0.581 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 7 0.31
52PF00105_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
53PF00105_RARA_HUMAN32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 118 0.40
54PF00105_RXRB_HUMAN80 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 83 0.14
55PF00105_VDR_RAT54 100% 0.570 PF00105 C3_S168 - (0)20 52 / 2 / - 43 40 0.05
56PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
57PF00105_NR1H3_HUMAN39 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13 1 -
58PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
59PF00105_VDR_MOUSE54 99% 0.557 PF00105 C1_S167 - (0)20 52 / 2 / - 43--
60PF00105_THB_RAT19 100% 0.556 PF00105 C3_S139 - (0)9 5 / 11 / - 6--
61PF00105_RXRB_RAT78 98% 0.552 PF00105 C1_S193 - (0)19 21 / 37 / 10 31 17 0.53
62PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
63PF00105_RXRB_MOUSE80 98% 0.552 PF00105 C2_S193 - (0)20 21 / 38 / 10 31 52 0.29
64PF00105_VDR_BOVIN54 95% 0.548 PF00105 C2_S168 - (0)20 52 / 2 / - 43--
65PF00105_VDR_CHICK22 98% 0.544 PF00105 C1_S135 - (0)20 22 / - / - 21 1 -
66PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--
67PF00105_THA_CHICK19 100% 0.538 PF00105 C2_S138 - (0)9 4 / 12 / - 6--
68PF00105_RXRG_HUMAN80 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31 92 0.17
69PF00105_RARB_MOUSE32 100% 0.528 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 7 0.73
70PF00105_RARB_HUMAN32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 111 0.48
71PF00105_THB_HUMAN19 100% 0.525 PF00105 C1_S139 - (0)9 5 / 11 / - 6 86 0.16
72PF00105_RXRG_MOUSE80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31 44 0.35
73PF00105_THA_HUMAN20 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7 79 0.02
74PF00105_RXRG_RAT80 97% 0.521 PF00105 C4_S193 - (0)20 21 / 38 / 11 31 17 0.51
75PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
76PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
77PF00105_NR1D1_HUMAN20 73% 0.472 PF00105 C2_S131 - (0)1 1 / - / - 1--
78PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
79PF00105_ECR_LUCCU20 73% 0.448 PF00105 C1_S133 - (0)6 5 / 4 / 1 4--
80PF00105_ECR_AEDAE20 72% 0.432 PF00105 C3_S133 - (0)6 5 / 4 / - 5--
81PF00105_NR2C2_HUMAN20 38% 0.373 PF00105 13 - (0)? - / - / - 0--

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