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 C1
ID:	AK1C1_HUMAN
AC:	Q04828
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:	7.512
Number of residues:	21
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.379	533.250

% Hydrophobic	% Polar
56.33	43.67
According to VolSite

HET Code:	STR
Formula:	C21H30O2
Molecular weight:	314.462 g/mol
DrugBank ID:	DB00396
Buried Surface Area:	57.85 %
Polar Surface area:	34.14 Å2

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

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Mass center Coordinates

X	Y	Z
2.68648	34.1857	16.5613

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