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Ligand

NameSMR000073214
Molecular formulaC17H17N3O6S
IUPAC namedimethyl 5-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
Molecular weight391.398
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.2
Synonymsdimethyl 5-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
SCHEMBL14285631
AKOS001689624
CHEMBL1312149
methyl 3-(methoxycarbonyl)-5-[2-(6-methyl-4-oxo(3-hydropyrimidin-2-ylthio))ace tylamino]benzoate
[ Show all ]
Inchi KeyACEHGLDUDSPAPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17N3O6S/c1-9-4-13(21)20-17(18-9)27-8-14(22)19-12-6-10(15(23)25-2)5-11(7-12)16(24)26-3/h4-7H,8H2,1-3H3,(H,19,22)(H,18,20,21)
PubChem CID135448852
ChEMBLCHEMBL1312149
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
463139Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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