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BioLiP

PDB CCD ID: NL8
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O4
InChI: InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)
InChIKey: BCONCFRKDGKCRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O
CACTVS 3.385CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
Name:~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
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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