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Ligand

NameCHEMBL56369
Molecular formulaC27H28N6O3
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[(2-pyridin-3-ylacetyl)amino]carbamoylamino]propanamide
Molecular weight484.56
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.8
SynonymsBDBM50127544
SCHEMBL13886843
Inchi KeyGJNHOUWECRMHAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O3/c34-25(15-20-9-6-13-28-17-20)32-33-27(36)31-24(16-21-18-30-23-11-5-4-10-22(21)23)26(35)29-14-12-19-7-2-1-3-8-19/h1-11,13,17-18,24,30H,12,14-16H2,(H,29,35)(H,32,34)(H2,31,33,36)
PubChem CID44300355
ChEMBLCHEMBL56369
IUPHARN/A
BindingDB50127544
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
98081Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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