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Ligand

NameCHEMBL14600
Molecular formulaC19H25N5O2S
IUPAC name(5R)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[4-(2H-tetrazol-5-ylsulfanyl)butyl]pyrrolidin-2-one
Molecular weight387.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
SynonymsSCHEMBL6436855
(R)-5-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[4-(1H-tetrazol-5-ylsulfanyl)-butyl]-pyrrolidin-2-one
BDBM50125410
SCHEMBL6436853
5-[4-[(2R)-2beta-(3-Hydroxy-4-phenyl-1-butenyl)-5-oxopyrrolizino]butylthio]-1H-tetrazole
Inchi KeyCSYHDBJGSZIDDS-FNPGKKEOSA-N
Inchi IDInChI=1S/C19H25N5O2S/c25-17(14-15-6-2-1-3-7-15)10-8-16-9-11-18(26)24(16)12-4-5-13-27-19-20-22-23-21-19/h1-3,6-8,10,16-17,25H,4-5,9,11-14H2,(H,20,21,22,23)/b10-8+/t16-,17?/m0/s1
PubChem CID44269468
ChEMBLCHEMBL14600
IUPHARN/A
BindingDB50125410
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
49876Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
49871Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
49877Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
49870Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
49875Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
49872Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
49873Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
49874Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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