Reaction Details 
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Hematopoietic prostaglandin D synthase
Ligand
BDBM50526538
Substrate
n/a
Meas. Tech.
ChEMBL_1900120 (CHEMBL4402235)
IC50
340±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:
BDBM50526538
Synonyms:
CHEMBL4520607
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:15.16,17.19,(25.43,-7.2,;26.76,-7.98,;28.1,-7.21,;28.1,-5.66,;29.43,-4.89,;30.76,-5.66,;32.09,-4.88,;33.42,-5.64,;33.43,-7.19,;32.1,-7.97,;30.76,-7.2,;29.43,-7.98,;34.75,-4.86,;34.74,-3.32,;36.09,-5.62,;37.42,-4.84,;38.91,-5.23,;39.3,-3.74,;40.62,-2.96,;37.81,-3.36,)|
Structure:
