sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Histone deacetylase 8
ID:	HDAC8_HUMAN
AC:	Q9BY41
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.5.1.98

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Chains:

Chain Name:	Percentage of Residues within binding site
A	21 %
B	79 %

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Ligand binding site composition:

B-Factor:	38.834
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
1.266	1242.000

% Hydrophobic	% Polar
55.98	44.02
According to VolSite

HET Code:	NHB
Formula:	C17H15N3O4S2
Molecular weight:	389.449 g/mol
DrugBank ID:	DB02917
Buried Surface Area:	61.36 %
Polar Surface area:	136.22 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
3.353	15.9389	19.6018

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