SEQ2FUN

BioLiP

PDB CCD ID: 8NX
Number of entries in BioLiP: 1
Chemical formula: C5 H3 N5 O4
InChI: InChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12)
InChIKey: LXDVSSPKQAHSGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352[O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1
OpenEye OEToolkits 1.7.0c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O
Name:8-nitro-3,7-dihydro-1H-purine-2,6-dione;
8-nitro xanthine
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).