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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

NameCHEMBL3716008
Molecular formulaC21H21NO3
IUPAC name2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight335.403
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL13328372
Inchi KeyYTFNGIWSLSXQTE-XVNBXDOJSA-N
Inchi IDInChI=1S/C21H21NO3/c1-3-7-17-14(2)8-6-11-18(17)19(23)22-21(20(24)25)12-15-9-4-5-10-16(15)13-21/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,25)/b7-3+
PubChem CID25160798
ChEMBLCHEMBL3716008
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
533336C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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