SEQ2FUN

BioLiP

PDB CCD ID: AZ9
Number of entries in BioLiP: 1
Chemical formula: C6 H5 N5 O2
InChI: InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
InChIKey: ZLLAXLPOOMLVRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)Nc2nncnc2C1=O
ACDLabs 12.01c21nncnc1C(N(C)C(N2)=O)=O
OpenEye OEToolkits 2.0.4CN1C(=O)c2c(nncn2)NC1=O
Name:6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione;
1-demethyltoxoflavin
ChEMBL: CHEMBL1703515
ZINC: ZINC000018272248
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).