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Ligand

NameCHEMBL2371018
Molecular formulaC38H40N4O6
IUPAC name(2S)-2-[[(2R,3R)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylbutanoyl]amino]-3-phenylpropanoic acid
Molecular weight648.76
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50068647
2-[(2R,3R)-2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-phenyl-butyrylamino]-3-phenyl-propionic acid
Inchi KeyAEWCNAURTILZJX-JNSKMMGSSA-N
Inchi IDInChI=1S/C38H40N4O6/c1-24(27-12-6-3-7-13-27)34(36(45)40-32(38(47)48)21-25-10-4-2-5-11-25)41-35(44)33-22-28-14-8-9-15-29(28)23-42(33)37(46)31(39)20-26-16-18-30(43)19-17-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31+,32+,33+,34-/m1/s1
PubChem CID73347048
ChEMBLCHEMBL2371018
IUPHARN/A
BindingDB50068647
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3900Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
3902Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
3901Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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