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Ligand

NameMLS000064957
Molecular formulaC17H16N2O3S
IUPAC name3-(2-hydroxyphenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Molecular weight328.386
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL1562802
ST076061
(3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[2-(methylthio)phenyl]isoxazolidine-5-carboxamide
AC1NX0CY
MCULE-2495819410
[ Show all ]
Inchi KeyFIYZHRFIVIPMNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16N2O3S/c1-23-16-9-5-3-7-12(16)18-17(21)15-10-13(19-22-15)11-6-2-4-8-14(11)20/h2-9,15,20H,10H2,1H3,(H,18,21)
PubChem CID2962265
ChEMBLCHEMBL1562802
IUPHARN/A
BindingDB31346
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
5597685-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
559769Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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