Study Results

Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_XENOPE_I60_2019M6 (2019 - Xenopus laevis - Protein Kinase family)
Download : Data.csv | 3D Common Core | 3D Models | DB.fasta

Tab legend :

Full name of ligand selected in the comparative docking column:

General color information :

Good

Correct

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted 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]
1	X_NR3A1_ESR1	489	84%	0.27	PF00105	79.7	0 - (0)	?	81 / 351 / 58	222
2	X_NR1C1_PPARA	318	90%	0.42	PF00105	55.1	0 - (0)	?	38 / 139 / 126	173
3	X_NR1C3_PPARG	227	86%	0.34	PF00105	63.3	0 - (0)	?	2 / 48 / 163	137
4	X_NR1I1_VDR	108	83%	0.33	PF00105	87.2	0 - (0)	?	102 / 6 / -	83
5	X_NR1C2_PPARD	99	76%	0.42	PF00105	78.2	0 - (0)	?	55 / 38 / 6	50
6	X_NR2B1_RXRA	96	99%	0.36	PF00105	84.3	0 - (0)	?	28 / 51 / 12	45
7	X_NR2B3_RXRG	94	90%	0.31	PF00105	83.6	0 - (0)	?	28 / 49 / 13	46
8	X_NR3C1_GCR	65	77%	0.20	PF00105	72.2	0 - (0)	?	24 / 36 / 5	32
9	X_NR3C2_MCR	52	85%	0.24	PF00105	71.1	0 - (0)	?	6 / 44 / 3	23
10	X_NR1B3_RARG	37	94%	0.45	PF00105	89.5	0 - (0)	?	25 / 9 / 3	18
11	X_NR1A1_THAA	17	86%	0.34	PF00105	86.1	0 - (0)	?	5 / 12 / -	7
12	X_NR1A2_THBA	17	94%	0.36	PF00105	86.3	0 - (0)	?	6 / 11 / -	7
13	X_NR1A1_THAB	17	86%	0.34	PF00105	86.4	0 - (0)	?	5 / 12 / -	7
14	X_NR1A2_THBB	17	93%	0.33	PF00105	86.0	0 - (0)	?	6 / 11 / -	7

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