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Ligand

NameCHEMBL2112213
Molecular formulaC26H27N5O2
IUPAC name(2S)-N-[4-(aminomethyl)phenyl]-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
Molecular weight441.535
Hydrogen bond acceptor3
Hydrogen bond donor5
XlogP2.6
SynonymsBDBM50404043
Inchi KeyFJVDDQFNULKYMY-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H27N5O2/c27-15-18-10-12-21(13-11-18)30-25(32)24(14-20-17-28-23-9-5-4-8-22(20)23)31-26(33)29-16-19-6-2-1-3-7-19/h1-13,17,24,28H,14-16,27H2,(H,30,32)(H2,29,31,33)/t24-/m0/s1
PubChem CID71457994
ChEMBLCHEMBL2112213
IUPHARN/A
BindingDB50404043
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80094Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
80091Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
80092Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
80093Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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