Reaction Details | |||
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Target | Hematopoietic prostaglandin D synthase | ||
Ligand | BDBM50615817 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2304417 | ||
IC50 | 140±n/a nM | ||
Citation | Cadilla, R; Deaton, DN; Do, Y; Elkins, PA; Ennulat, D; Guss, JH; Holt, J; Jeune, MR; King, AG; Klapwijk, JC; Kramer, HF; Kramer, NJ; Laffan, SB; Masuria, PI; McDougal, AV; Mortenson, PN; Musetti, C; Peckham, GE; Pietrak, BL; Poole, C; Price, DJ; Rendina, AR; Sati, G; Saxty, G; Shearer, BG; Shewchuk, LM; Sneddon, HF; Stewart, EL; Stuart, JD; Thomas, DN; Thomson, SA; Ward, P; Wilson, JW; Xu, T; Youngman, MA The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure. Bioorg Med Chem28:0 (2020) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Hematopoietic prostaglandin D synthase | |||
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: |
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BDBM50615817 | |||
n/a | |||
Name | BDBM50615817 | ||
Synonyms: | CHEMBL5266934 | ||
Type | Small organic molecule | ||
Emp. Form. | C17H20N4O2 | ||
Mol. Mass. | 312.3663 | ||
SMILES | C[C@@]1(O)C[C@@H](C1)NC(=O)c1cnc2nc(ccc2c1)N1CCC1 |r,wU:4.6,1.1,(7.22,3.52,;6.45,2.19,;7.99,2.19,;4.96,2.58,;4.55,1.07,;6.04,.67,;3.22,.3,;1.89,1.07,;1.89,2.61,;.55,.3,;.55,-1.24,;-.78,-2,;-2.11,-1.23,;-3.43,-2,;-4.76,-1.24,;-4.76,.29,;-3.45,1.06,;-2.11,.3,;-.79,1.08,;-6.1,-2.01,;-7.58,-1.61,;-7.99,-3.12,;-6.5,-3.52,)| | ||
Structure |