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:	Aldo-keto reductase family 1 member C3
ID:	AK1C3_HUMAN
AC:	P42330
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	15.880
Number of residues:	31
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	4
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.326	864.000

% Hydrophobic	% Polar
65.23	34.77
According to VolSite

HET Code:	0SZ
Formula:	C16H14NO4S
Molecular weight:	316.352 g/mol
DrugBank ID:	-
Buried Surface Area:	71.72 %
Polar Surface area:	85.89 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
-27.7219	-13.5931	1.81141

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