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Ligand

NameCHEMBL409907
Molecular formulaC30H35N5O4
IUPAC name(2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]pyrrolidine-2-carboxamide
Molecular weight529.641
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.9
SynonymsBDBM50149378
1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [2-phenyl-1-((S)-pyridin-4-ylcarbamoyl)-ethyl]-amide
Inchi KeyAMHQCADGPIEYBO-QKDODKLFSA-N
Inchi IDInChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1
PubChem CID44346002
ChEMBLCHEMBL409907
IUPHARN/A
BindingDB50149378
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8888Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
8889Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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