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Ligand

NameCID 44364817
Molecular formulaC42H46N6O8
IUPAC name5-amino-4-[[2-[[2-[[2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
Molecular weight762.864
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP0.6
SynonymsN/A
Inchi KeyAHIVOEZAMQCBPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C42H46N6O8/c43-32(21-28-15-17-31(49)18-16-28)42(56)48-25-30-14-8-7-13-29(30)24-36(48)41(55)47-35(23-27-11-5-2-6-12-27)40(54)46-34(22-26-9-3-1-4-10-26)39(53)45-33(38(44)52)19-20-37(50)51/h1-18,32-36,49H,19-25,43H2,(H2,44,52)(H,45,53)(H,46,54)(H,47,55)(H,50,51)
PubChem CID44364817
ChEMBLN/A
IUPHARN/A
BindingDB50095752
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459270Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
5587Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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