SEQ2FUN

BioLiP

PDB CCD ID: A1BD5
Number of entries in BioLiP: 8
Chemical formula: C8 H5 N3 O4
InChI: InChI=1S/C8H5N3O4/c12-6-4-1-3(7(13)14)2-9-5(4)10-8(15)11-6/h1-2H,(H,13,14)(H2,9,10,11,12,15)
InChIKey: PCCNUUFPHRNLKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cnc2NC(=O)NC(=O)c2c1
OpenEye OEToolkits 3.1.0.0c1c(cnc2c1C(=O)NC(=O)N2)C(=O)O
ACDLabs 14.52O=C(O)c1cnc2NC(=O)NC(=O)c2c1
Name:oxopyricid
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).