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:	Aldose reductase
ID:	ALDR_PIG
AC:	P80276
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	1.1.1.21

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Chains:

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

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Ligand binding site composition:

B-Factor:	34.435
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.588	374.625

% Hydrophobic	% Polar
56.76	43.24
According to VolSite

HET Code:	I84
Formula:	C19H21N2O5S
Molecular weight:	389.445 g/mol
DrugBank ID:	DB01689
Buried Surface Area:	49.7 %
Polar Surface area:	123.78 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
67.6313	35.5144	87.2173

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