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Ligand

NameMLS001006036
Molecular formulaC19H16N2O3S
IUPAC name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
Molecular weight352.408
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsAKOS017003580
MLS001006036-02
2-({[(2-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridin-1-ium-1-olate
CHEMBL1571839
Z18546523
[ Show all ]
Inchi KeyADTUHYKLZVMHOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22)
PubChem CID2342380
ChEMBLCHEMBL1571839
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
3079Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
3078Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
3077Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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