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_HUMAN
AC:	P35228
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1.14.13.39

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Chains:

Chain Name:	Percentage of Residues within binding site
A	43 %
B	57 %

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Ligand binding site composition:

B-Factor:	57.126
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.176	2605.500

% Hydrophobic	% Polar
45.47	54.53
According to VolSite

HET Code:	H4B
Formula:	C9H15N5O3
Molecular weight:	241.247 g/mol
DrugBank ID:	DB00360
Buried Surface Area:	66.29 %
Polar Surface area:	132 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	6
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
80.0202	20.4123	82.4444

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