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:	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
ID:	PDE10_HUMAN
AC:	Q9Y233
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.1.4.17

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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:	36.698
Number of residues:	33
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	ZN MG

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Cavity properties

Ligandability	Volume (Å3)
0.961	732.375

% Hydrophobic	% Polar
51.15	48.85
According to VolSite

HET Code:	0T6
Formula:	C18H15ClN4O2
Molecular weight:	354.790 g/mol
DrugBank ID:	-
Buried Surface Area:	55.21 %
Polar Surface area:	61.54 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	0
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
20.6452	-11.0909	-35.3962

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