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Ligand

Name1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Molecular formulaC20H22N2O4S2
IUPAC name[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
Molecular weight418.526
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsSMR000025368
AC1MMCMW
MLS000090765
MLS001367833
CHEMBL1600209
[ Show all ]
Inchi KeyAGRYPPPEOJFIBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O4S2/c1-13-8-10-15(11-9-13)28(24,25)17-14(2)21-22(20(3,4)5)18(17)26-19(23)16-7-6-12-27-16/h6-12H,1-5H3
PubChem CID3236657
ChEMBLCHEMBL1600209
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5159Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5158Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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