SEQ2FUN

BioLiP

PDB CCD ID: AZ8
Number of entries in BioLiP: 4
Chemical formula: C5 H3 N5 O2
InChI: InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12)
InChIKey: IDJLTUNWTSUIHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c12c(ncnn1)C(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)c2ncnnc2N1
OpenEye OEToolkits 2.0.4c1nc2c(nn1)NC(=O)NC2=O
Name:pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione;
1,6-didemethyltoxoflavin
ZINC: ZINC000001704493
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).