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	50 %
B	50 %

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Ligand binding site composition:

B-Factor:	21.857
Number of residues:	30
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.051	489.375

% Hydrophobic	% Polar
59.31	40.69
According to VolSite

HET Code:	UXH
Formula:	C12H10ClN5O2
Molecular weight:	291.693 g/mol
DrugBank ID:	-
Buried Surface Area:	64.97 %
Polar Surface area:	128.32 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
-3.8921	-5.55255	-15.7157

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