Reaction Details Report a problem with these data
Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50084153
Substrate
n/a
Meas. Tech.
ChEMBL_1477159 (CHEMBL3428468)
IC50
210±n/a nM
Citation
 Edfeldt, F; Evenäs, J; Lepistö, M; Ward, A; Petersen, J; Wissler, L; Rohman, M; Sivars, U; Svensson, K; Perry, M; Feierberg, I; Zhou, XH; Hansson, T; Narjes, F Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS). Bioorg Med Chem Lett 25:2496-500 (2015) [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:
BDBM50084153
Synonyms:
CHEMBL3425948
Type:
Small organic molecule
Emp. Form.:
C20H22F3N3O2
Mol. Mass.:
393.4028
SMILES:
COc1cccc(c1)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Structure:
Search PDB for entries with ligand similarity: