Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_HUMAN (2017 - Homo sapiens - Histone DeACetylases)
Download : Data.csv | 3D Common Core | 3D Models

Tab legend : Full name of ligand selected in the comparative docking column: General color information : Quality: [ Good | Correct | Uncertain ]

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 Uniprot Pfam Prosite Smart Cath ECNumber	Binding Site	Ligands Found (Procognate)	Profile	Complexes by comparative docking (ligands from PDB templates) ALL TSN - [nb=105] --> TRICHOSTATIN A CHAIN - [nb=63] --> tetrapeptide substrate B3N - [nb=59] --> .....NO)-7-OXOHEPTYL]BENZAMIDE SHH - [nb=54] --> ..... HYDROXYAMIDE PHENYLAMIDE TFG - [nb=34] --> .....PHEN-2-YL}ETHANE-1,1-DIOL NU7 - [nb=24] --> .....-OXADIAZOL-3-YL]BENZAMIDE HA3 - [nb=21] --> .....L]THIOPHENE-2-CARBOXAMIDE FKS - [nb=20] --> .....trifluoroheptane-2,2-diol 9F4 - [nb=15] --> .....YCLOPROPANE-1-CARBOXAMIDE OTF - [nb=14] --> .....YCLOPROPANE-1-CARBOXAMIDE MCM - [nb=13] --> .....NO-4-METHYL-CHROMEN-2-ONE NHB - [nb=12] --> .....]SULFONYL}AMINO)BENZAMIDE 5OJ - [nb=12] --> .....]-~{N}-oxidanyl-benzamide E1Z - [nb=12] --> S-TRICHOSTATIN A V5X - [nb=12] --> .....-3-YL)ETHYL]OCTANEDIAMIDE 5OG - [nb=12] --> Belinostat LBH - [nb=12] --> Panobinostat AGE - [nb=10] --> .....YRROL-2-YL]PROP-2-ENAMIDE 20Y - [nb=10] --> .....HEN-2-YL)PHENYL]BENZAMIDE L7G - [nb=9] --> .....18-TETRAENE-6,9,13-TRIONE L8G - [nb=9] --> .....18-TETRAENE-6,9,13-TRIONE L6G - [nb=8] --> .....(19)-TRIENE-6,9,13-TRIONE NU9 - [nb=8] --> .....-OXADIAZOL-3-YL]BENZAMIDE N4R - [nb=8] --> NEXTURASTAT A 5YA - [nb=8] --> .....l-~{N}-oxidanyl-benzamide XCH - [nb=7] --> Droxinostat LLX - [nb=6] --> .....NOBIPHENYL-3-YL)BENZAMIDE IWX - [nb=6] --> .....-3-yl)oxane-4-carboxamide FMT - [nb=6] --> FORMIC ACID XS6 - [nb=6] --> .....mino]-N-hydroxyhexanamide 5OK - [nb=6] --> Oxamflatin 1DI - [nb=5] --> .....SOINDOL-2-YL)PROPAN-1-ONE 0DI - [nb=5] --> .....PERAZIN-1-YL]PROPAN-1-ONE 6EZ - [nb=4] --> ......2.1]octane-3-carboxamide EDO - [nb=3] --> 1,2-ETHANEDIOL 6XA - [nb=2] --> .....amino-N-hydroxyhexanamide IMD - [nb=2] --> IMIDAZOLE 5XA - [nb=1] --> .....mino-N-hydroxypentanamide GOL - [nb=1] --> GLYCEROL	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
1	HDAC7_HUMAN	135	100%	0.51	PF00850	C5_S1	209 - (0)	20	- / 14 / 83	25
2	HDAC3_HUMAN	118	100%	0.57	PF00850	C2_S1	210 - (0)	20	- / 20 / 79	26
3	HDAC8_HUMAN	102	100%	0.65	PF00850	C3_S1	199 - (0)	19	- / 11 / 65	35
4	HDAC5_HUMAN	92	77%	0.54	PF00850	C4_S1	139 - (0)	20	- / 14 / 55	30
5	HDAC2_HUMAN	84	100%	0.62	PF00850	C2_S1	156 - (0)	19	- / 4 / 46	12
6	HDAC1_HUMAN	83	100%	0.62	PF00850	C3_S1	155 - (0)	19	- / 2 / 46	12
7	HDAC4_HUMAN	61	100%	0.54	PF00850	C4_S1	78 - (0)	20	- / 12 / 37	29
8	HDAC9_HUMAN	61	74%	0.51	PF00850	C6_S1	66 - (0)	20	- / 9 / 37	29
9	HDA10_HUMAN	52	54%	0.58	PF00850	C3_S1	54 - (0)	20	- / 9 / 32	21
10	HDAC6_HUMAN	51	100%	0.55	PF00850	C3_S1	54 - (0)	20	- / 12 / 31	24
11	HDA11_HUMAN	20	34%	0.39	PF00850	C5_S1	37 - (0)	8	- / - / 6	0

<< Page 1 / 1 >> - Show 50100250500All