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Ligand

NameCHEMBL494303
Molecular formulaC17H17N3O2S
IUPAC name(3S,4R)-2-oxo-4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyrrolidine-3-carboxamide
Molecular weight327.402
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.0
SynonymsAC-98170
BDBM50412716
Inchi KeyGNFXCDMTRHENBV-CJINARDKSA-N
Inchi IDInChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/b19-11+/t13-,15-/m0/s1
PubChem CID9696680
ChEMBLCHEMBL494303
IUPHAR9457
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
100529Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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