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Ligand

NameCHEMBL73349
Molecular formulaC18H25BrN2OS
IUPAC name2-(4-bromophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylbutan-2-yl]-N-methylacetamide
Molecular weight397.375
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.3
SynonymsN-[(S)-1-(3-Pyrroline-1-ylmethyl)-3-(methylthio)propyl]-N-methyl-4-bromobenzeneacetamide
Inchi KeyAXOUSAABXUFXEA-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H25BrN2OS/c1-20(18(22)13-15-5-7-16(19)8-6-15)17(9-12-23-2)14-21-10-3-4-11-21/h3-8,17H,9-14H2,1-2H3/t17-/m0/s1
PubChem CID44313128
ChEMBLCHEMBL73349
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
16921Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
442327Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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