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Ligand

NameCHEMBL1928220
Molecular formulaC24H32N4O3
IUPAC name(1R,2R,3aS,8bS)-1-[(E,3S)-4-cyclohexyl-3-hydroxybut-1-enyl]-5-[2-(2H-tetrazol-5-yl)ethyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-ol
Molecular weight424.545
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50359615
SCHEMBL13585453
Inchi KeyVLFOPQQEYFUEHI-PQEHKDGBSA-N
Inchi IDInChI=1S/C24H32N4O3/c29-17(13-15-5-2-1-3-6-15)10-11-18-20(30)14-21-23(18)19-8-4-7-16(24(19)31-21)9-12-22-25-27-28-26-22/h4,7-8,10-11,15,17-18,20-21,23,29-30H,1-3,5-6,9,12-14H2,(H,25,26,27,28)/b11-10+/t17-,18+,20-,21+,23+/m1/s1
PubChem CID10113129
ChEMBLCHEMBL1928220
IUPHARN/A
BindingDB50359615
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
357813Prostaglandin E2 receptor EP4 subtypeQ28691PTGER4Oryctolagus cuniculus (Rabbit)488

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