SEQ2FUN

BioLiP

PDB CCD ID: 6R7
Number of entries in BioLiP: 16
Chemical formula: C7 H5 N O5
InChI: InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey: PPDRLQLKHRZIJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)O
CACTVS 3.385OC(=O)c1cc(ccc1O)[N+]([O-])=O
Name:5-nitrosalicylic acid;
5-nitro-2-oxidanyl-benzoic acid
ChEMBL: CHEMBL1940317
ZINC: ZINC000001555337
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).