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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50615799
Substrate
n/a
Meas. Tech.
ChEMBL_2304418
EC50
54±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 Chem 28:0 (2020) [PubMed] 
Target
Name:
Hematopoietic prostaglandin D synthase
Synonyms:
2.5.1.18 | 5.3.99.2 | GST class-sigma | Glutathione S-transferase | Glutathione-dependent PGD synthase | Glutathione-requiring prostaglandin D synthase | Gsts | H-PGDS | HPGDS_RAT | Hematopoietic prostaglandin D synthase | Hpgds | Pgds | Prostaglandin-H2 D-isomerase | Ptgds2
Type:
PROTEIN
Mol. Mass.:
23295.19
Organism:
Rattus norvegicus
Description:
ChEMBL_118881
Residue:
199
Sequence:
MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLTLHQSLAIARYLTKNTDLAGKTELEQCQVDAVVDTLDDFMSLFPWAEENQDLKERTFNDLLTRQAPHLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPDLLGIYPRLVSLRNKVQAIPAISAWILKRPQTKL
  
Inhibitor
Name:
BDBM50615799
Synonyms:
CHEMBL5268479
Type:
Small organic molecule
Emp. Form.:
C17H18ClN3O2
Mol. Mass.:
331.797
SMILES:
C[C@@]1(O)C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:1.1,4.6,(7.05,3.43,;6.28,2.1,;7.82,2.1,;4.79,2.5,;4.39,.98,;5.88,.58,;3.05,.21,;1.72,.98,;1.72,2.52,;.39,.21,;.39,-1.33,;-.95,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.95,-1.33,;-6.28,-2.1,;-7.05,-3.43,;-7.82,-2.1,;-4.95,.21,;-6.28,.98,;-3.61,.98,;-2.28,.21,;-.95,.98,)|
Structure:
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