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Ligand

NameCHEMBL3361416
Molecular formulaC22H30N6O
IUPAC nameN-[(4-anilino-1-benzylpiperidin-4-yl)methyl]-2-(diaminomethylideneamino)acetamide
Molecular weight394.523
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.8
SynonymsBDBM50029336
Inchi KeyJOTDNJDIGBWICX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N6O/c23-21(24)25-15-20(29)26-17-22(27-19-9-5-2-6-10-19)11-13-28(14-12-22)16-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,26,29)(H4,23,24,25)
PubChem CID118724977
ChEMBLCHEMBL3361416
IUPHARN/A
BindingDB50029336
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447867Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
447868Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
447869Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
447866Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
447865Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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