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:	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
ID:	PDE9A_HUMAN
AC:	O76083
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	32.304
Number of residues:	31
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	ZN MG

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Cavity properties

Ligandability	Volume (Å3)
1.002	786.375

% Hydrophobic	% Polar
51.93	48.07
According to VolSite

HET Code:	7RG
Formula:	C20H26N7O2
Molecular weight:	396.466 g/mol
DrugBank ID:	DB11953
Buried Surface Area:	46.08 %
Polar Surface area:	98.73 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	5
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
75.5261	52.2053	40.5994

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