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Ligand

NameSMR000115985
Molecular formulaC21H18N4O3S
IUPAC name(E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Molecular weight406.46
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsSTL032392
(E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
HMS2458A20
AC1LYRLU
MolPort-001-973-831
[ Show all ]
Inchi KeyAACGAMXGVRSOQK-GZTJUZNOSA-N
Inchi IDInChI=1S/C21H18N4O3S/c1-14-10-16(11-17(12-22)21(26)23-13-20-4-3-9-29-20)15(2)24(14)18-5-7-19(8-6-18)25(27)28/h3-11H,13H2,1-2H3,(H,23,26)/b17-11+
PubChem CID1932011
ChEMBLCHEMBL1366910
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
52Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
462979Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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