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BioLiP Library

PDB CCD ID: UFI
Number of entries in BioLiP: 2
Chemical formula: C13 H9 N O4
InChI: InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3
InChIKey: JNZJPCRGQNFNFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c3c1cccc3C(=O)N(C2=O)O
CACTVS 3.385COc1ccc2C(=O)N(O)C(=O)c3cccc1c23
Name:6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-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)(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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