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BioLiP

PDB CCD ID: WZX
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O3
InChI: InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKey: VDWCBOWYLRLNMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)CN1CC(=O)Nc2ccccc12
OpenEye OEToolkits 2.0.7CCOC(=O)CN1CC(=O)Nc2c1cccc2
Name:ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
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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