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Ligand

NameSMR000046468
Molecular formulaC25H26N4O4S
IUPAC name2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Molecular weight478.567
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsMLS000083118
AC1LDDRI
AC1Q45TW
MLS000829596
CHEMBL1581045
[ Show all ]
Inchi KeyACZVFGLWHWHMHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N4O4S/c1-17-6-9-19(10-7-17)33-15-23-27-28-25(29(23)14-20-5-4-12-32-20)34-16-24(30)26-21-13-18(2)8-11-22(21)31-3/h4-13H,14-16H2,1-3H3,(H,26,30)
PubChem CID665419
ChEMBLCHEMBL1581045
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2068Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
2067Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
2066Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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