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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50576323
Substrate
n/a
Meas. Tech.
ChEMBL_2126991 (CHEMBL4836336)
IC50
6.0±n/a nM
Citation
Schulte, CA; Deaton, DN; Diaz, E; Do, Y; Gampe, RT; Guss, JH; Hancock, AP; Hobbs, H; Hodgson, ST; Holt, J; Jeune, MR; Kahler, KM; Kramer, HF; Le, J; Mortenson, PN; Musetti, C; Nolte, RT; Orband-Miller, LA; Peckham, GE; Petrov, KG; Pietrak, BL; Poole, C; Price, DJ; Saxty, G; Shillings, A; Smalley, TL; Somers, DO; Stewart, EL; Stuart, JD; Thomson, SA A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg Med Chem Lett 47:0 (2021) [PubMed] Article
More 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:
BDBM50576323
Synonyms:
CHEMBL4866146
Type:
Small organic molecule
Emp. Form.:
C23H26FN3O2
Mol. Mass.:
395.4698
SMILES:
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)|