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Ligand

NameAC1N2AWG
Molecular formulaC24H24N2O4S
IUPAC namemethyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Molecular weight436.526
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
Synonymsmethyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
ZINC8688033
MolPort-005-870-139
CHEMBL1585091
methyl 4-(3-(2-((4-acetamidophenyl)thio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
[ Show all ]
Inchi KeyBCNKQXDDMIBITO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
PubChem CID4043841
ChEMBLCHEMBL1585091
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20340Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
465378Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
465376Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
536488Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
465380Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
465377Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877
465375Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
465374Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908
465379Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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