Reaction Details Report a problem with these data
Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50463722
Substrate
n/a
Meas. Tech.
ChEMBL_2026071 (CHEMBL4679884)
IC50
71±n/a nM
Citation
 Yokoo, H; Shibata, N; Naganuma, M; Murakami, Y; Fujii, K; Ito, T; Aritake, K; Naito, M; Demizu, Y Development of a Hematopoietic Prostaglandin D Synthase-Degradation Inducer. ACS Med Chem Lett 12:236-241 (2021) [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:
BDBM50463722
Synonyms:
CHEMBL4238186
Type:
Small organic molecule
Emp. Form.:
C27H29N5O4
Mol. Mass.:
487.5503
SMILES:
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1
Structure:
Search PDB for entries with ligand similarity: