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Ligand

NameCHEMBL179246
Molecular formulaC35H43N5O5
IUPAC name(2S)-1-[2-amino-3-(4-hydroxy-2,3,6-trimethylphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight613.759
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.7
SynonymsBDBM50159680
(S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide
Inchi KeyBDMYIPNSEIOOMG-UOOFWSDHSA-N
Inchi IDInChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
PubChem CID44388171
ChEMBLN/A
IUPHARN/A
BindingDB50159680
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21081Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
21084Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
21083Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
557936Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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