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Ligand

NameCHEMBL3770677
Molecular formulaC27H31N3O2
IUPAC name(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,5-dimethylphenyl)propanamide
Molecular weight429.564
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP4.6
SynonymsBDBM50148909
Inchi KeyAJEOBNISERORCF-UKILVPOCSA-N
Inchi IDInChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1
PubChem CID127028436
ChEMBLCHEMBL3770677
IUPHARN/A
BindingDB50148909
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521645Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
521646Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
521644Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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