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BioLiP Library

PDB CCD ID: A1LZO
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O6
InChI: InChI=1S/C10H10N2O6/c13-8-2-1-6(3-7(8)12(17)18)4-9(14)11-5-10(15)16/h1-3,13H,4-5H2,(H,11,14)(H,15,16)
InChIKey: GTYVYDYXIPPDBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)Cc1ccc(O)c(c1)[N](=O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CC(=O)NCC(=O)O)N(=O)=O)O
Name:2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid
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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