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Ligand

NameCHEMBL138100
Molecular formulaC40H48N8O5
IUPAC name2-[[2-[[2-[[2-[acetyl(benzyl)amino]acetyl]-benzylamino]acetyl]-[4-(diaminomethylideneamino)butyl]amino]acetyl]-(naphthalen-1-ylmethyl)amino]acetamide
Molecular weight720.875
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50136745
2-({2-[(2-{[2-(Acetyl-benzyl-amino)-acetyl]-benzyl-amino}-acetyl)-(4-guanidino-butyl)-amino]-acetyl}-naphthalen-1-ylmethyl-amino)-acetamide
Inchi KeyDCYJMYPHKDVHFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H48N8O5/c1-30(49)46(23-31-13-4-2-5-14-31)28-39(53)47(24-32-15-6-3-7-16-32)29-37(51)45(22-11-10-21-44-40(42)43)27-38(52)48(26-36(41)50)25-34-19-12-18-33-17-8-9-20-35(33)34/h2-9,12-20H,10-11,21-29H2,1H3,(H2,41,50)(H4,42,43,44)
PubChem CID44359732
ChEMBLCHEMBL138100
IUPHARN/A
BindingDB50136745
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56855Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
56854Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
56856Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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