SEQ2FUN

BioLiP

PDB CCD ID: J66
Number of entries in BioLiP: 6
Chemical formula: C8 H5 N O3
InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
InChIKey: CFMZSMGAMPBRBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)N(C2=O)O
CACTVS 3.385ON1C(=O)c2ccccc2C1=O
Name:2-oxidanylisoindole-1,3-dione
ChEMBL: CHEMBL276057
ZINC: ZINC000000098179
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).