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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50576315
Substrate
n/a
Meas. Tech.
ChEMBL_2126991 (CHEMBL4836336)
IC50
18±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 
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:
BDBM50576315
Synonyms:
CHEMBL4873385
Type:
Small organic molecule
Emp. Form.:
C23H26FN3O2
Mol. Mass.:
395.4698
SMILES:
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(23.28,-2.13,;24.11,-3.43,;24.83,-2.06,;22.81,-4.26,;25.48,-4.17,;25.53,-5.7,;26.9,-6.43,;28.2,-5.61,;28.14,-4.06,;26.78,-3.35,;29.56,-6.33,;30.87,-5.5,;30.81,-3.96,;32.23,-6.22,;32.29,-7.76,;33.64,-8.47,;34.94,-7.66,;36.42,-8.08,;37.27,-6.8,;36.33,-5.6,;34.89,-6.12,;33.53,-5.4,;38.81,-6.75,;39.62,-8.05,;41.16,-8,;41.88,-6.64,;41.06,-5.33,;41.77,-3.96,;39.52,-5.39,)|
Structure:
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