SEQ2FUN

BioLiP

PDB CCD ID: 6VP
Number of entries in BioLiP: 10
Chemical formula: C7 H4 N2 O3
InChI: InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
InChIKey: MPQNPFJBRPRBFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1C#N)[N+]([O-])=O
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C#N)O
Name:5-nitro-2-oxidanyl-benzenecarbonitrile;
2-hydroxy-5-nitrobenzonitrile
ZINC: ZINC000002738988
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).