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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50463698
Substrate
n/a
Meas. Tech.
ChEMBL_1779053 (CHEMBL4236045)
IC50
3.0±n/a nM
Citation
 Vaz, RJ; Li, Y; Munson, M; Elliot, M; Thurairatnam, S Amelioration of mechanism-based inactivation of CYP3A4 by a H-PGDS inhibitor. Bioorg Med Chem Lett 28:3046-3049 (2018) [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:
BDBM50463698
Synonyms:
CHEMBL4247050
Type:
Small organic molecule
Emp. Form.:
C20H18N6O2
Mol. Mass.:
374.3959
SMILES:
COc1ccc2n(NC(=O)c3cnc(nc3C)-c3ccccn3)cc(C)c2n1
Structure:
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