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_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
51PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
52PF00105_NR1D2_HUMAN20 98% 0.674 PF00105 C3_S133 - (0)1 1 / - / - 1--
53PF00105_VDR_CHICK22 98% 0.544 PF00105 C1_S135 - (0)20 22 / - / - 21 1 -
54PF00105_NR1H4_MOUSE40 98% 0.697 PF00105 C2_S160 - (0)20 33 / 4 / 3 18--
55PF00105_RXRB_RAT78 98% 0.552 PF00105 C1_S193 - (0)19 21 / 37 / 10 31 17 0.53
56PF00105_PPARG_MOUSE166 98% 0.615 PF00105 C3_S1200 - (0)20 55 / 62 / 47 89 1 -
57PF00105_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
58PF00105_RXRG_MOUSE80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31 44 0.35
59PF00105_RXRB_MOUSE80 98% 0.552 PF00105 C2_S193 - (0)20 21 / 38 / 10 31 52 0.29
60PF00105_PPARD_CANFA34 97% 0.816 PF00105 C5_S153 - (0)20 12 / 20 / 1 17--
61PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
62PF00105_RXRG_RAT80 97% 0.521 PF00105 C4_S193 - (0)20 21 / 38 / 11 31 17 0.51
63PF00105_PPARA_CANFA25 97% 0.812 PF00105 C3_S140 - (0)20 12 / 7 / 5 14--
64PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
65PF00105_PRGR_RAT34 96% 0.841 PF00105 C3_S156 - (0)20 7 / 27 / - 16--
66PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
67PF00105_VDR_PIG54 96% 0.762 PF00105 C4_S167 - (0)20 52 / 2 / - 43 1 -
68PF00105_VDR_BOVIN54 95% 0.548 PF00105 C2_S168 - (0)20 52 / 2 / - 43--
69PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
70PF00105_PPARD_MOUSE34 94% 0.789 PF00105 C4_S148 - (0)20 11 / 21 / 1 17--
71PF00105_MCR_RAT32 94% 0.590 PF00105 C3_S134 - (0)16 2 / 25 / 2 10--
72PF00105_PPARA_RAT25 93% 0.808 PF00105 C4_S141 - (0)20 7 / 11 / 7 13--
73PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
74PF00105_THA_HUMAN20 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7 79 0.02
75PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
76PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
77PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
78PF00105_NR1D1_HUMAN20 73% 0.472 PF00105 C2_S131 - (0)1 1 / - / - 1--
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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