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Ligand

NameCHEMBL199111
Molecular formulaC24H31N3O5S
IUPAC nameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-6-(methylsulfamoyl)-3,4-dihydro-2H-chromene-2-carboxamide
Molecular weight473.588
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50174966
6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-amide
Inchi KeyACGXEHCYMVMMDU-ZPVUCFGCSA-N
Inchi IDInChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/s1
PubChem CID44405161
ChEMBLCHEMBL199111
IUPHARN/A
BindingDB50174966
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
1566Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
1565Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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