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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3104220
Molecular formulaC26H31N3O2
IUPAC name(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)but-2-enamide
Molecular weight417.553
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50445682
Inchi KeyBGOBWXKUOQUIBQ-XVNBXDOJSA-N
Inchi IDInChI=1S/C26H31N3O2/c1-3-7-26(31)29(24-11-10-22-12-17-28(20(2)30)25(22)18-24)23-13-15-27(16-14-23)19-21-8-5-4-6-9-21/h3-11,18,23H,12-17,19H2,1-2H3/b7-3+
PubChem CID76335552
ChEMBLCHEMBL3104220
IUPHARN/A
BindingDB50445682
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
23208Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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