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Ligand

NameCHEMBL459509
Molecular formulaC20H18BrN3O2
IUPAC name(3S,4R)-N-[(E)-(6-bromo-2,3-dihydroinden-1-ylidene)amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Molecular weight412.287
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50412712
Inchi KeyGPKOVIQXQLKOGM-JFIGCQMVSA-N
Inchi IDInChI=1S/C20H18BrN3O2/c21-14-8-6-13-7-9-17(15(13)10-14)23-24-20(26)18-16(11-22-19(18)25)12-4-2-1-3-5-12/h1-6,8,10,16,18H,7,9,11H2,(H,22,25)(H,24,26)/b23-17+/t16-,18-/m0/s1
PubChem CID25108339
ChEMBLCHEMBL459509
IUPHARN/A
BindingDBN/A
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
102054Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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