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Ligand

NameCHEMBL106872
Molecular formulaC30H42N6O6
IUPAC name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]-methylamino]-N,4-dimethylpentanamide
Molecular weight582.702
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.5
SynonymsBDBM50120219
(S)-2-{[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionyl]-methyl-amino}-4-methyl-pentanoic acid methylamide
Inchi KeyCCYHHOCDPQOMRI-SDHOMARFSA-N
Inchi IDInChI=1S/C30H42N6O6/c1-19(2)14-25(29(41)32-3)36(4)30(42)24(16-20-8-6-5-7-9-20)35-27(39)18-33-26(38)17-34-28(40)23(31)15-21-10-12-22(37)13-11-21/h5-13,19,23-25,37H,14-18,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t23-,24-,25-/m0/s1
PubChem CID44337444
ChEMBLCHEMBL106872
IUPHARN/A
BindingDB50120219
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39051Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
39052Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
39050Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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