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Ligand

NameCHEMBL433951
Molecular formulaC24H30N4O5
IUPAC name2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight454.527
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.4
SynonymsBDBM50150806
2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ((R)-1-carbamoyl-2-hydroxy-ethyl)-amide
Inchi KeyAFNRQBXHTFGQNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O5/c1-13-7-17(30)8-14(2)18(13)10-19(25)24(33)28-11-16-6-4-3-5-15(16)9-21(28)23(32)27-20(12-29)22(26)31/h3-8,19-21,29-30H,9-12,25H2,1-2H3,(H2,26,31)(H,27,32)
PubChem CID44393527
ChEMBLN/A
IUPHARN/A
BindingDB50150806
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4313Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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