Reaction Details
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Target
Prostacyclin synthase
Ligand
BDBM50036365
Substrate
n/a
Meas. Tech.
ChEMBL_158020 (CHEMBL768446)
IC50
33000±n/a nM
Citation
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More Info.:
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:
BDBM50036365
Synonyms:
(Z)-6-{2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid | CHEMBL352668
Type:
Small organic molecule
Emp. Form.:
C25H30N2O7
Mol. Mass.:
470.5149
SMILES:
Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O