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Ligand

NameCHEMBL385779
Molecular formulaC34H48N6O5
IUPAC name(2S)-2-amino-N-[4-[5-[3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]butyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Molecular weight620.795
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP2.5
SynonymsBDBM50194488
6-[4''-(H-Dmt)-aminobutyl]-3-[3''-(H-Dmt)-aminopropyl]-5-methyl-2(1H)-pyrazinone
N-[3-[3-Oxo-5-[4-[(2,6-dimethyl-L-tyrosyl)amino]butyl]-6-methyl-3,4-dihydropyrazine-2-yl]propyl]-2,6-dimethyl-L-tyrosinamide
Inchi KeyAIOLFDZVYRFPMH-VMPREFPWSA-N
Inchi IDInChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
PubChem CID44419723
ChEMBLCHEMBL385779
IUPHARN/A
BindingDB50194488
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6395Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
6398Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
6396Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
6397Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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