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Ligand

NameCHEMBL170594
Molecular formulaC24H33N3O3
IUPAC name(2S)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight411.546
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50453629
Inchi KeyBDESELADPKLTQU-GCJKJVERSA-N
Inchi IDInChI=1S/C24H33N3O3/c1-16-13-20(30-4)14-17(2)21(16)15-22(25)24(29)27-18(3)23(28)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,22H,8,11-12,15,25H2,1-4H3,(H,26,28)(H,27,29)/t18-,22+/m1/s1
PubChem CID10251078
ChEMBLCHEMBL170594
IUPHARN/A
BindingDB50453629
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
20862Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
20863Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
20861Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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