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:	Prostaglandin reductase 3
ID:	ZADH2_HUMAN
AC:	Q8N4Q0
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	16.072
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.932	567.000

% Hydrophobic	% Polar
52.38	47.62
According to VolSite

HET Code:	X1H
Formula:	C22H16O4S
Molecular weight:	376.425 g/mol
DrugBank ID:	-
Buried Surface Area:	55.04 %
Polar Surface area:	95 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-37.6646	-10.3883	-46.7982

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