Reaction Details Report a problem with these data
Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50300124
Substrate
n/a
Meas. Tech.
ChEMBL_593692 (CHEMBL1044145)
IC50
>3E5±n/a nM
Citation
 Weber, JE; Oakley, AJ; Christ, AN; Clark, AG; Hayes, JD; Hall, R; Hume, DA; Board, PG; Smythe, ML; Flanagan, JU Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase. Eur J Med Chem 45:447-54 (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:
BDBM50300124
Synonyms:
(5-(phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester | 5-(phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester | 5-phenylsulfinyl-2-carbomethoxyaminobenzimidazole | CHEMBL42442 | Fenbendazole sulfoxide | OFDZ | methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate | oxfendazole
Type:
Small organic molecule
Emp. Form.:
C15H13N3O3S
Mol. Mass.:
315.347
SMILES:
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: