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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

BioLiP

PDB CCD ID: X0L
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O2
InChI: InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKey: CDBRNCZLZWKJSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)CN2c3ccccc3NC(=O)C2=O
Name:4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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