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Ligand

NameCHEMBL83326
Molecular formulaC17H19NO3S
IUPAC name2-benzyl-N-[(3,4-dihydroxyphenyl)methyl]-3-sulfanylpropanamide
Molecular weight317.403
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.5
SynonymsN-(3,4-Dihydroxybenzyl)-2-benzyl-3-mercaptopropionamide
BDBM50017756
N-(3,4-Dihydroxy-benzyl)-2-mercaptomethyl-3-phenyl-propionamide
Inchi KeyGWCXHVZCYNRBKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19NO3S/c19-15-7-6-13(9-16(15)20)10-18-17(21)14(11-22)8-12-4-2-1-3-5-12/h1-7,9,14,19-20,22H,8,10-11H2,(H,18,21)
PubChem CID14557749
ChEMBLCHEMBL83326
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106800Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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