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:	Nitric oxide synthase, inducible
ID:	NOS2_MOUSE
AC:	P29477
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	1.14.13.39

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Chains:

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

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Ligand binding site composition:

B-Factor:	19.443
Number of residues:	30
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	2
Water Molecules:	4
Cofactors:	H4B
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.829	1687.500

% Hydrophobic	% Polar
42.60	57.40
According to VolSite

HET Code:	332
Formula:	C17H21N3O2S
Molecular weight:	331.433 g/mol
DrugBank ID:	DB07007
Buried Surface Area:	72.37 %
Polar Surface area:	103.3 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	3
Rings:	4
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
127.015	114.969	90.7601

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