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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50615794
Substrate
n/a
Meas. Tech.
ChEMBL_2304418
EC50
28±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:
BDBM50615794
Synonyms:
CHEMBL5290809
Type:
Small organic molecule
Emp. Form.:
C21H26F2N4O
Mol. Mass.:
388.4541
SMILES:
CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(F)F |r,wU:6.9,wD:3.2,(7.44,.28,;7.44,1.82,;6.11,2.59,;4.77,1.82,;3.44,2.59,;2.1,1.82,;2.1,.28,;3.44,-.49,;4.77,.28,;.77,-.49,;-.57,.28,;-.57,1.82,;-1.9,-.49,;-1.9,-2.03,;-3.23,-2.8,;-4.57,-2.03,;-5.9,-2.8,;-7.24,-2.03,;-7.24,-.49,;-5.9,.28,;-4.57,-.49,;-3.23,.28,;-8.57,-2.8,;-9.34,-4.13,;-10.11,-2.8,;8.77,2.59,;8.77,4.13,;10.11,1.82,)|
Structure:
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