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_HUMAN
AC:	P15121
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
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:	7.494
Number of residues:	16
Including
Standard Amino Acids:	15
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.864	722.250

% Hydrophobic	% Polar
53.74	46.26
According to VolSite

HET Code:	LPA
Formula:	C8H13O2S2
Molecular weight:	205.318 g/mol
DrugBank ID:	DB00166
Buried Surface Area:	56.01 %
Polar Surface area:	90.72 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	1
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
16.6521	24.6571	62.7337

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