SEQ2FUN

BioLiP

PDB CCD ID: 9KT
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c1-11-7-5-3-4-6-8(7)12(2)10(14)9(11)13/h3-6H,1-2H3
InChIKey: MXWJILNOXSNALO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1c2ccccc2N(C(=O)C1=O)C
CACTVS 3.385CN1C(=O)C(=O)N(C)c2ccccc12
Name:1,4-dimethylquinoxaline-2,3-dione
ChEMBL: CHEMBL4281139
ZINC: ZINC000000015173
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).