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Ligand

NameCHEMBL3885401
Molecular formulaC20H21NO2S
IUPAC name4-[[7-(2-methylphenyl)-1-benzothiophen-2-yl]methylamino]butanoic acid
Molecular weight339.453
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50209064
Inchi KeyFAQQWLOPBMREGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21NO2S/c1-14-6-2-3-8-17(14)18-9-4-7-15-12-16(24-20(15)18)13-21-11-5-10-19(22)23/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,22,23)
PubChem CID134131399
ChEMBLCHEMBL3885401
IUPHARN/A
BindingDB50209064
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
548752Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548751Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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