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Target
Prostacyclin synthase
Ligand
BDBM50036360
Substrate
n/a
Meas. Tech.
ChEMBL_158020 (CHEMBL768446)
IC50
32000±n/a nM
Citation
 Faull, AW; Brewster, AG; Brown, GR; Smithers, MJ; Jackson, R Dual-acting thromboxane receptor antagonist/synthase inhibitors: synthesis and biological properties of [2-substituted-4-(3-pyridyl)-1,3-dioxan-5-yl] alkenoic acids. J Med Chem 38:686-94 (1995) [PubMed]  Article 
Target
Name:
Prostacyclin synthase
Synonyms:
CYP8 | CYP8A1 | PTGIS | PTGIS_HUMAN | Prostaglandin I2 synthase
Type:
PROTEIN
Mol. Mass.:
57109.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_157785
Residue:
500
Sequence:
MAWAALLGLLAALLLLLLLSRRRTRRPGEPPLDLGSIPWLGYALDFGKDAASFLTRMKEKHGDIFTILVGGRYVTVLLDPHSYDAVVWEPRTRLDFHAYAIFLMERIFDVQLPHYSPSDEKARMKLTLLHRELQALTEAMYTNLHAVLLGDATEAGSGWHEMGLLDFSYSFLLRAGYLTLYGIEALPRTHESQAQDRVHSADVFHTFRQLDRLLPKLARGSLSVGDKDHMCSVKSRLWKLLSPARLARRAHRSKWLESYLLHLEEMGVSEEMQARALVLQLWATQGNMGPAAFWLLLFLLKNPEALAAVRGELESILWQAEQPVSQTTTLPQKVLDSTPVLDSVLSESLRLTAAPFITREVVVDLAMPMADGREFNLRRGDRLLLFPFLSPQRDPEIYTDPEVFKYNRFLNPDGSEKKDFYKDGKRLKNYNMPWGAGHNHCLGRSYAVNSIKQFVFLVLVHLDLELINADVEIPEFDLSRYGFGLMQPEHDVPVRYRIRP
  
Inhibitor
Name:
BDBM50036360
Synonyms:
(Z)-6-{2-[1-Methyl-1-(4-methylsulfanyl-phenoxy)-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid | CHEMBL161304
Type:
Small organic molecule
Emp. Form.:
C25H31NO5S
Mol. Mass.:
457.582
SMILES:
CSc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1
Structure:
Search PDB for entries with ligand similarity: