SEQ2FUN

BioLiP

PDB CCD ID: 6R6
Number of entries in BioLiP: 14
Chemical formula: C7 H6 N2 O4
InChI: InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)N
CACTVS 3.385Nc1ccc(cc1C(O)=O)[N+]([O-])=O
Name:5-nitroanthranilic acid;
2-azanyl-5-nitro-benzoic acid
ChEMBL: CHEMBL39476
ZINC: ZINC000003878253
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).