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Ligand

NameCHEMBL3884862
Molecular formulaC20H22N2O2S
IUPAC name2-amino-3-[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]methylamino]propanoic acid
Molecular weight354.468
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.2
SynonymsBDBM50209049
Inchi KeyDOBABIOYUNSMGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O2S/c1-2-13-6-3-4-7-15(13)16-8-5-9-19-17(16)10-14(25-19)11-22-12-18(21)20(23)24/h3-10,18,22H,2,11-12,21H2,1H3,(H,23,24)
PubChem CID134130071
ChEMBLCHEMBL3884862
IUPHARN/A
BindingDB50209049
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
548656Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548655Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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