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Ligand

NameCHEMBL3904644
Molecular formulaC24H32O6
IUPAC name5-[(5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5,5a,6,7,8,8a-hexahydro-2H-cyclopenta[b]oxepin-3-yl]pentanoic acid
Molecular weight416.514
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50206021
SCHEMBL3703705
Inchi KeyGFDQGLQBMQZFJT-MCWCYXQTSA-N
Inchi IDInChI=1S/C24H32O6/c25-18(16-29-19-7-2-1-3-8-19)11-13-20-21-12-10-17(6-4-5-9-24(27)28)15-30-23(21)14-22(20)26/h1-3,7-8,10-11,13,18,20-23,25-26H,4-6,9,12,14-16H2,(H,27,28)/b13-11+/t18-,20-,21-,22-,23+/m1/s1
PubChem CID68751402
ChEMBLCHEMBL3904644
IUPHARN/A
BindingDB50206021
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
538343Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
538341Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
538342Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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