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BioLiP Library

PDB CCD ID: 9YZ
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N2 O3
InChI: InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
InChIKey: WXZWPPNMQAIVTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(=O)N1CCN(c2c1cccc2)C(=O)OC
CACTVS 3.385CCC(=O)N1CCN(C(=O)OC)c2ccccc12
Name:methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
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)(download the PDF file).
  • 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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