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Ligand

NameCHEMBL3982726
Molecular formulaC22H30O6
IUPAC name4-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
Molecular weight390.476
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.3
Synonyms5alpha,9-Epoxy-prostaglandin F1
BDBM50206020
5,9-E-16-P-PGF1
Cyclopenta(b)pyran-2-butanoic acid, octahydro-6-hydroxy-5-(3-hydroxy-4-phenoxy-1-butenyl)-, (2R-(2alpha,4abeta,5beta(1E,3R*),6alpha,7abeta))-
(5alpha)-5,9-Epoxy-16-phenoxy PGF(1)
[ Show all ]
Inchi KeyFTBNLUSUCXCIGD-OVCPVMRKSA-N
Inchi IDInChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-12-10-17(7-4-8-22(25)26)28-21(19)13-20(18)24/h1-3,5-6,9,11,15,17-21,23-24H,4,7-8,10,12-14H2,(H,25,26)/b11-9+/t15-,17-,18-,19-,20-,21+/m1/s1
PubChem CID6443852
ChEMBLCHEMBL3982726
IUPHARN/A
BindingDB50206020
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538147Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
538145Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
538146Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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