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Ligand

NameCHEMBL493704
Molecular formulaC17H16BrN3O2S
IUPAC name(3S,4R)-N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Molecular weight406.298
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50412713
Inchi KeyIXWJNJAJGQXLEK-DNIDMCMJSA-N
Inchi IDInChI=1S/C17H16BrN3O2S/c1-10(13-7-8-14(18)24-13)20-21-17(23)15-12(9-19-16(15)22)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,19,22)(H,21,23)/b20-10+/t12-,15-/m0/s1
PubChem CID25108338
ChEMBLCHEMBL493704
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
144347Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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