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:	Ribosyldihydronicotinamide dehydrogenase [quinone]
ID:	NQO2_HUMAN
AC:	P16083
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	32 %
B	68 %

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Ligand binding site composition:

B-Factor:	26.440
Number of residues:	23
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.581	583.875

% Hydrophobic	% Polar
47.40	52.60
According to VolSite

HET Code:	MXX
Formula:	C13H15NO3
Molecular weight:	233.263 g/mol
DrugBank ID:	DB08228
Buried Surface Area:	59.62 %
Polar Surface area:	38.77 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	0
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
23.4367	-16.9914	-15.1016

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