Reaction Details Report a problem with these data
Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM21615
Substrate
BDBM21614
Meas. Tech.
In Vitro GST Activity Assay
pH
7.2±n/a
Temperature
295.15±n/a K
IC50
890000±n/a nM
Citation
Hohwy, M; Spadola, L; Lundquist, B; Hawtin, P; Dahmén, J; Groth-Clausen, I; Nilsson, E; Persdotter, S; von Wachenfeldt, K; Folmer, RH; Edman, K Novel prostaglandin d synthase inhibitors generated by fragment-based drug design. J Med Chem 51:2178-86 (2008) [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:
BDBM21615
Synonyms:
1-phenyl-1H-pyrazole-4-carboxylic acid | Pyrazole, 1
Type:
Small organic molecule
Emp. Form.:
C10H8N2O2
Mol. Mass.:
188.1827
SMILES:
OC(=O)c1cnn(c1)-c1ccccc1