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Ligand

NameMLS000714572
Molecular formulaC22H30N2O6
IUPAC name(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide
Molecular weight418.49
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
Synonyms(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxo-2-butenamide
CHEMBL1477197
AC1NY924
(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-methoxyethyl)but-2-enamide
BDBM54810
[ Show all ]
Inchi KeyAGSSSXPKNBFAAT-ZHACJKMWSA-N
Inchi IDInChI=1S/C22H30N2O6/c1-29-13-12-24(15-21(27)23-16-6-4-3-5-7-16)22(28)11-10-19(25)18-9-8-17(30-2)14-20(18)26/h8-11,14,16,26H,3-7,12-13,15H2,1-2H3,(H,23,27)/b11-10+
PubChem CID5770966
ChEMBLCHEMBL1477197
IUPHARN/A
BindingDB54810
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5175Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
5176Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5174Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
5177Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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