Reaction Details
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Target
Hematopoietic prostaglandin D synthase
Ligand
BDBM50615788
Substrate
n/a
Meas. Tech.
ChEMBL_2304417
IC50
31±n/a nM
Citation
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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:
BDBM50615788
Synonyms:
CHEMBL5272443
Type:
Small organic molecule
Emp. Form.:
C21H25F3N4O2
Mol. Mass.:
422.444
SMILES:
OC[C@@H](N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1)C(F)(F)F |r,wU:7.10,wD:4.3,2.29,(10.1,2.59,;8.76,3.36,;7.43,2.59,;6.1,3.36,;4.76,2.59,;3.43,3.36,;2.1,2.59,;2.1,1.05,;3.43,.28,;4.76,1.05,;.76,.28,;-.57,1.05,;-.57,2.59,;-1.91,.28,;-1.91,-1.26,;-3.24,-2.03,;-4.57,-1.26,;-5.89,-2.02,;-7.22,-1.26,;-7.22,.27,;-5.91,1.04,;-4.57,.28,;-3.24,1.05,;-8.56,-2.03,;-9.33,-3.36,;-10.1,-2.03,;7.43,1.05,;8.76,.28,;6.1,.28,;7.43,-.49,)|