Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstacyclin synthase
LigandBDBM50036368
Substrate/Competitorn/a
Meas. Tech.ChEMBL_158020 (CHEMBL768446)
IC50 13000±n/a nM
Citation Faull, AWBrewster, AGBrown, GRSmithers, MJJackson, 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 Chem38:686-94 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Prostacyclin synthase
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:
MAWAALLGLLAALLLLLLLSRRRTRRPGEPPLDLGSIPWLGYALDFGKDAASFLTRMKEK
HGDIFTILVGGRYVTVLLDPHSYDAVVWEPRTRLDFHAYAIFLMERIFDVQLPHYSPSDE
KARMKLTLLHRELQALTEAMYTNLHAVLLGDATEAGSGWHEMGLLDFSYSFLLRAGYLTL
YGIEALPRTHESQAQDRVHSADVFHTFRQLDRLLPKLARGSLSVGDKDHMCSVKSRLWKL
LSPARLARRAHRSKWLESYLLHLEEMGVSEEMQARALVLQLWATQGNMGPAAFWLLLFLL
KNPEALAAVRGELESILWQAEQPVSQTTTLPQKVLDSTPVLDSVLSESLRLTAAPFITRE
VVVDLAMPMADGREFNLRRGDRLLLFPFLSPQRDPEIYTDPEVFKYNRFLNPDGSEKKDF
YKDGKRLKNYNMPWGAGHNHCLGRSYAVNSIKQFVFLVLVHLDLELINADVEIPEFDLSR
YGFGLMQPEHDVPVRYRIRP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50036368
n/a
NameBDBM50036368
Synonyms:(Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid | CHEMBL346590
TypeSmall organic molecule
Emp. Form.C25H31NO4
Mol. Mass.409.5179
SMILESCC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: