Reaction Details 
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Hematopoietic prostaglandin D synthase
Ligand
BDBM50526491
Substrate
n/a
Meas. Tech.
ChEMBL_1900120 (CHEMBL4402235)
IC50
500±n/a nM
Citation
Deaton, DN; Do, Y; Holt, J; Jeune, MR; Kramer, HF; Larkin, AL; Orband-Miller, LA; Peckham, GE; Poole, C; Price, DJ; Schaller, LT; Shen, Y; Shewchuk, LM; Stewart, EL; Stuart, JD; Thomson, SA; Ward, P; Wilson, JW; Xu, T; Guss, JH; Musetti, C; Rendina, AR; Affleck, K; Anders, D; Hancock, AP; Hobbs, H; Hodgson, ST; Hutchinson, J; Leveridge, MV; Nicholls, H; Smith, IED; Somers, DO; Sneddon, HF; Uddin, S; Cleasby, A; Mortenson, PN; Richardson, C; Saxty, G The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg Med Chem 27:1456-1478 (2019) [PubMed] ArticleMore Info.:
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:
BDBM50526491
Synonyms:
CHEMBL4525227
Type:
Small organic molecule
Emp. Form.:
C15H16N2O3
Mol. Mass.:
272.2991
SMILES:
COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:15.16,wD:17.19,(25.93,-15.18,;27.27,-15.96,;28.6,-15.19,;28.6,-13.64,;29.93,-12.87,;31.27,-13.64,;32.59,-12.86,;33.93,-13.62,;33.94,-15.17,;32.6,-15.95,;31.27,-15.18,;29.94,-15.96,;35.25,-12.84,;35.24,-11.3,;36.59,-13.6,;37.92,-12.82,;38.31,-11.34,;39.8,-11.72,;41.13,-10.94,;39.42,-13.21,)|
Structure:
