SEQ2FUN

BioLiP

PDB CCD ID: FQX
Number of entries in BioLiP: 4
Chemical formula: C8 H4 N4 O4
InChI: InChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)
InChIKey: GBLOKWQVACPFGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]
CACTVS 3.341[O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12
ACDLabs 10.04[O-][n+]3onc2c3cc1NC(=O)C(=O)Nc1c2
Name:[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
ChEMBL: CHEMBL462490
ZINC: ZINC000000023110
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).