Study Results

Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_ZFISH_I60_2019M6 (2019 - Zebrafish (Danio rerio) - 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	Z_NR2B2_RXRBB	96	88%	0.35	PF00105	86.2	0 - (0)	?	29 / 49 / 14	45
2	Z_NR1A2_THB	17	90%	0.36	PF00105	85.9	0 - (0)	?	6 / 11 / -	7
3	Z_NR1A1_THAA	17	88%	0.36	PF00105	86.5	0 - (0)	?	5 / 12 / -	7
4	Z_NR1I1_VDRA	108	100%	0.32	PF00105	87.2	0 - (0)	?	102 / 6 / -	83
5	Z_NR2B2_RXRBA	96	94%	0.29	PF00105	82.7	0 - (0)	?	28 / 51 / 12	45
6	Z_NR3A2_ESR2a	69	69%	0.29	PF00105	76.9	0 - (0)	?	3 / 53 / 11	31
7	Z_NR3A1_ESR1	470	64%	0.27	PF00105	75.6	0 - (0)	?	108 / 320 / 42	213
8	Z_NR1B1_RARAA	37	92%	0.33	PF00105	86.0	0 - (0)	?	25 / 8 / 4	18
9	Z_NR1B3_RARGB	36	93%	0.45	PF00105	89.3	0 - (0)	?	25 / 9 / 2	18
10	Z_NR1B3_ARGA	36	94%	0.44	PF00105	89.3	0 - (0)	?	25 / 9 / 2	18
11	Z_NR2B3_RXRGA	96	94%	0.32	PF00105	81.2	0 - (0)	?	28 / 51 / 13	46
12	Z_NR1B1_RARAB	37	92%	0.32	PF00105	86.0	0 - (0)	?	25 / 8 / 4	18
13	Z_NR3C3_PRGR	40	66%	0.47	PF00105	73.8	0 - (0)	?	2 / 26 / 12	20
14	Z_NR2B1_RXRAA	96	99%	0.41	PF00105	83.3	0 - (0)	?	28 / 51 / 12	45
15	Z_NR3A2_ESR2b	73	71%	0.24	PF00105	79.0	0 - (0)	?	4 / 59 / 11	33
16	Z_NR2B3_RXRGB	96	92%	0.31	PF00105	82.8	0 - (0)	?	27 / 52 / 13	46
17	Z_NR1C2_PPARb1	139	78%	0.50	PF00105	71.5	0 - (0)	?	51 / 69 / 18	77
18	Z_NR1C2_PPARb2	272	85%	0.52	PF00105	63.3	0 - (0)	?	50 / 107 / 98	153
19	Z_NR1C3_PPARg	234	71%	0.32	PF00105	69.3	0 - (0)	?	10 / 97 / 114	135
20	Z_NR1C1_PPARa2	322	79%	0.38	PF00105	61.0	0 - (0)	?	57 / 119 / 130	174
21	Z_NR2B1_RXRAB	97	97%	0.48	PF00105	83.5	0 - (0)	?	28 / 52 / 12	46
22	Z_NR1I1_VDRB	108	88%	0.31	PF00105	87.7	0 - (0)	?	102 / 6 / -	83

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