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Ligand

NameEsuberaprost
Molecular formulaC24H30O5
IUPAC name4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
Molecular weight398.499
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.2
Synonyms(1R)-1beta-[(3S,4S)-3-Hydroxy-4-methyl-1-octene-6-yne-1-yl]-2alpha-hydroxy-2,3,3abeta,8bbeta-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid
APS-314D
DTXSID00240666
ZINC13671573
1JSN1I7582
[ Show all ]
Inchi KeyCTPOHARTNNSRSR-NOQAJONNSA-N
Inchi IDInChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1
PubChem CID10501053
ChEMBLN/A
IUPHAR8314
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553480Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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