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Ligand

NameCHEMBL106101
Molecular formulaC29H38N6O6
IUPAC name(2S)-2-[(4S)-3-[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]-4-benzyl-5-oxoimidazolidin-1-yl]-4-methylpentanamide
Molecular weight566.659
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50120214
(1S,4S)-2-[3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetyl)-4-benzyl-5-oxo-imidazolidin-1-yl]-4-methyl-pentanoic acid amide
Inchi KeyDCKGMGBQOKQQDP-HJOGWXRNSA-N
Inchi IDInChI=1S/C29H38N6O6/c1-18(2)12-23(27(31)39)35-17-34(24(29(35)41)14-19-6-4-3-5-7-19)26(38)16-32-25(37)15-33-28(40)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H2,31,39)(H,32,37)(H,33,40)/t22-,23-,24-/m0/s1
PubChem CID44337393
ChEMBLCHEMBL106101
IUPHARN/A
BindingDB50120214
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
56436Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
56437Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
56438Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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