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Ligand

NameCHEMBL422242
Molecular formulaC26H38O5
IUPAC namemethyl (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoate
Molecular weight430.585
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50020301
(S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-hept-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester
(R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-hept-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester
Inchi KeyKNPLJGMVILBNGV-FTQSZQCKSA-N
Inchi IDInChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22+,23?,24-,25+/m0/s1
PubChem CID44322596
ChEMBLCHEMBL422242
IUPHARN/A
BindingDB50020301
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
173563Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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