sc-PDB

List of CHEMBLId :

CHEMBL261777

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:	Hematopoietic prostaglandin D synthase
ID:	HPGDS_HUMAN
AC:	O60760
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	22.404
Number of residues:	22
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.902	1687.500

% Hydrophobic	% Polar
38.60	61.40
According to VolSite

HET Code:	D26
Formula:	C12H9N3S
Molecular weight:	227.285 g/mol
DrugBank ID:	DB07614
Buried Surface Area:	63.17 %
Polar Surface area:	69.81 Å2

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

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Mass center Coordinates

X	Y	Z
32.7614	-6.72219	-17.2521

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