Reaction Details Report a problem with these data
Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50324487
Substrate
n/a
Meas. Tech.
ChEMBL_649226 (CHEMBL1218924)
IC50
7100±n/a nM
Citation
 Christ, AN; Labzin, L; Bourne, GT; Fukunishi, H; Weber, JE; Sweet, MJ; Smythe, ML; Flanagan, JU Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases. J Med Chem 53:5536-48 (2010) [PubMed]  Article 
Target
Name:
Hematopoietic prostaglandin D synthase
Synonyms:
GSTS | Glutathione-dependent PGD synthetase | Glutathione-requiring prostaglandin D synthase | H-PGDS | HPGDS | HPGDS_HUMAN | Hematopoietic prostaglandin D synthase | Hematopoietic prostaglandin D synthase (H-PGDS) | Hematopoietic prostaglandin D synthase (HPGDS) | PGDS | PTGDS2 | Prostaglandin D | Prostaglandin D Synthase
Type:
Enzyme
Mol. Mass.:
23341.07
Organism:
Homo sapiens (Human)
Description:
The protein was expressed in E. coli strain BL21(DE3) with an N-terminal 6-His tag.
Residue:
199
Sequence:
MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAVANWIKRRPQTKL
  
Inhibitor
Name:
BDBM50324487
Synonyms:
CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-yl)-5-(3-hydroxyphenyl)-thiophene-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C17H20N2O3S
Mol. Mass.:
332.417
SMILES:
CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O
Structure:
Search PDB for entries with ligand similarity: