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Ligand

NameCHEMBL64483
Molecular formulaC22H34O5
IUPAC name(Z)-7-[(1R,2R,3R)-2-[(E,4S)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
Molecular weight378.509
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
Synonyms(5Z)-7-[(1R)-2beta-[(1E,4S)-4-Hydroxy-4-(1-ethylcyclobutyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]-5-heptenoic acid
BDBM50101827
(Z)-7-{(1R,2R,3R)-2-[(E)-(S)-4-(1-Ethyl-cyclobutyl)-4-hydroxy-but-1-enyl]-3-hydroxy-5-oxo-cyclopentyl}-hept-5-enoic acid
Inchi KeyIQROZTCDGGUBKB-YJCCYYOKSA-N
Inchi IDInChI=1S/C22H34O5/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-17,19-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,19-,20+/m1/s1
PubChem CID44304164
ChEMBLCHEMBL64483
IUPHARN/A
BindingDB50101827
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
139558Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
139556Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
139555Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
139554Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
139557Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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