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 4
ID:	HDAC4_HUMAN
AC:	P56524
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	100 %

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Ligand binding site composition:

B-Factor:	35.108
Number of residues:	25
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.701	324.000

% Hydrophobic	% Polar
67.71	32.29
According to VolSite

HET Code:	TFG
Formula:	C19H17F3N3O3S
Molecular weight:	424.417 g/mol
DrugBank ID:	DB08613
Buried Surface Area:	41.37 %
Polar Surface area:	108.08 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	3
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
19.3396	77.3097	37.9164

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