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	52 %
B	48 %

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Ligand binding site composition:

B-Factor:	21.381
Number of residues:	29
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.056	553.500

% Hydrophobic	% Polar
56.10	43.90
According to VolSite

HET Code:	695
Formula:	C15H18N2O3S
Molecular weight:	306.380 g/mol
DrugBank ID:	-
Buried Surface Area:	66.85 %
Polar Surface area:	83.65 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-4.24581	-5.12176	-15.0057

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