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Ligand

NameCHEMBL315519
Molecular formulaC23H31N3O6
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(4-azido-2-hydroxyphenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight445.516
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.3
Synonyms(S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
BDBM50020306
Inchi KeyOIIBJRRMFXGDNC-SLVAOXGGSA-N
Inchi IDInChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1
PubChem CID44322588
ChEMBLCHEMBL315519
IUPHARN/A
BindingDB50020306
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
242065Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
242066Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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