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:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

---

Ligand binding site composition:

B-Factor:	45.023
Number of residues:	31
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	3
Water Molecules:	0
Cofactors:
Metals:	ZN MG

---

Cavity properties

Ligandability	Volume (Å3)
1.187	870.750

% Hydrophobic	% Polar
56.98	43.02
According to VolSite

HET Code:	LUO
Formula:	C22H22N6O3
Molecular weight:	418.448 g/mol
DrugBank ID:	-
Buried Surface Area:	47.57 %
Polar Surface area:	109.64 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

---

Mass center Coordinates

X	Y	Z
134.536	44.0956	79.9521

• 2D View
• 3D View