SEQ2FUN

BioLiP

PDB CCD ID: J9W
Number of entries in BioLiP: 2
Chemical formula: C8 H5 N O3
InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey: OAYRYNVEFFWSHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)NC(=O)O2
CACTVS 3.385O=C1NC(=O)c2ccccc2O1
Name:1,3-benzoxazine-2,4-dione
ChEMBL: CHEMBL1720051
ZINC: ZINC000000001098
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).