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Ligand

NameCHEMBL108731
Molecular formulaC37H38N4O6
IUPAC name(2S)-2-[[(2S)-2-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Molecular weight634.733
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.0
Synonyms2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylmethylamino}-2-phenylethylcarboxamido)-3-phenylpropanoic acid
2-[1-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylcarboxamido}-2-phenyl-(1S)-ethylcarboxamido]-3-phenyl-(2S)-propanoic acid
BDBM50041958
Inchi KeyJYOUATXRHWNDDW-KSTJSZMBSA-N
Inchi IDInChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1
PubChem CID15285532
ChEMBLN/A
IUPHARN/A
BindingDB50041958
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
163217Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
163218Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
460677Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228

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