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BioLiP

PDB CCD ID: U8N
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-5,11H,(H,10,12)
InChIKey: KOJRWXLHYKLCFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=CNC2=O)O
CACTVS 3.385OC1=CNC(=O)c2ccccc12
Name:4-oxidanyl-2~{H}-isoquinolin-1-one
ZINC: ZINC000100038324
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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