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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50463721
Substrate
n/a
Meas. Tech.
ChEMBL_1779224 (CHEMBL4236216)
Kd
0.140000±n/a nM
Citation
 Takaya, D; Inaka, K; Omura, A; Takenuki, K; Kawanishi, M; Yabuki, Y; Nakagawa, Y; Tsuganezawa, K; Ogawa, N; Watanabe, C; Honma, T; Aritake, K; Urade, Y; Shirouzu, M; Tanaka, A Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg Med Chem 26:4726-4734 (2018) [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:
BDBM50463721
Synonyms:
CHEMBL4238290
Type:
Small organic molecule
Emp. Form.:
C20H17N5O2
Mol. Mass.:
359.3813
SMILES:
O=C(Nc1ccc(cc1)N1CCCC1=O)c1cnc(nc1)-c1ccccn1
Structure:
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