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Ligand

NameCHEMBL430124
Molecular formulaC20H27NO4S
IUPAC name2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid
Molecular weight377.499
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
Synonyms{4-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-butylsulfanyl}-acetic acid
BDBM50125399
[4-[(2R)-2beta-(3-Hydroxy-4-phenyl-1-butenyl)-5-oxopyrrolizino]butylthio]acetic acid
Inchi KeyAFVYXQHLVZPGPW-NBGZVGPFSA-N
Inchi IDInChI=1S/C20H27NO4S/c22-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(23)21(17)12-4-5-13-26-15-20(24)25/h1-3,6-8,10,17-18,22H,4-5,9,11-15H2,(H,24,25)/b10-8+/t17-,18?/m0/s1
PubChem CID44269521
ChEMBLCHEMBL430124
IUPHARN/A
BindingDB50125399
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4549Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
4548Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
4552Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
4547Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
4550Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
4546Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
4553Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
4551Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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