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Ligand

NameCHEMBL433752
Molecular formulaC22H29ClO6
IUPAC name(Z)-8-[(2R,3S,4R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]oct-4-enoic acid
Molecular weight424.918
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50150896
(Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-4-hydroxy-tetrahydro-furan-3-yl}-oct-4-enoic acid
Inchi KeyBQJVYIFVMRAUDD-ONFDZLJGSA-N
Inchi IDInChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1,3,6-8,11-13,17,19-21,24-25H,2,4-5,9-10,14-15H2,(H,26,27)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
PubChem CID44393451
ChEMBLCHEMBL433752
IUPHARN/A
BindingDB50150896
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30385Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
30386Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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