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Ligand

NameCHEMBL3883972
Molecular formulaC22H19NO2S
IUPAC name3-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]propanoic acid
Molecular weight361.459
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50209042
Inchi KeyCYBKDJDKNIZVAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19NO2S/c24-22(25)9-10-23-14-20-13-19-12-18(7-8-21(19)26-20)17-6-5-15-3-1-2-4-16(15)11-17/h1-8,11-13,23H,9-10,14H2,(H,24,25)
PubChem CID134130519
ChEMBLCHEMBL3883972
IUPHARN/A
BindingDB50209042
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
548509Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548508Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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