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Ligand

NameCHEMBL2371935
Molecular formulaC37H44N4O6
IUPAC name(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-cyclohexylpropanoyl]amino]-3-phenylpropanoic acid
Molecular weight640.781
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.1
SynonymsN/A
Inchi KeyAFTOYBSNHFSKRV-YRCZKMHPSA-N
Inchi IDInChI=1S/C37H44N4O6/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/h2,5-8,11-18,24,30-33,42H,1,3-4,9-10,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
PubChem CID73345614
ChEMBLCHEMBL2371935
IUPHARN/A
BindingDBN/A
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
4481Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
4483Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
4482Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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