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:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	55 %
B	45 %

---

Ligand binding site composition:

B-Factor:	36.033
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	FAD
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.173	546.750

% Hydrophobic	% Polar
62.35	37.65
According to VolSite

HET Code:	O73
Formula:	C21H26N4O5
Molecular weight:	414.455 g/mol
DrugBank ID:	-
Buried Surface Area:	57.47 %
Polar Surface area:	138.36 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	3
Rule of Five Violation:	0
Rotatable Bonds:	9

---

Mass center Coordinates

X	Y	Z
27.3146	14.0066	15.5108

• 2D View
• 3D View