SEQ2FUN

BioLiP

PDB CCD ID: TOF
Number of entries in BioLiP: 6
Chemical formula: C7 H7 N5 O2
InChI: InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey: SLGRAIAQIAUZAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2N=C1C(=NC=NN1C)C(=O)N2C
CACTVS 3.370CN1N=CN=C2C(=O)N(C)C(=O)N=C12
OpenEye OEToolkits 1.7.0CN1C2=NC(=O)N(C(=O)C2=NC=N1)C
Name:1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione;
Toxoflavin
ChEMBL: CHEMBL578512
ZINC: ZINC000000342245
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).