SEQ2FUN

BioLiP

PDB CCD ID: GOR
Number of entries in BioLiP: 8
Chemical formula: C16 H9 N O6
InChI: InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
InChIKey: MEEXETVZNQYRSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O-])=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
Name:6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
ChEMBL: CHEMBL602280
ZINC: ZINC000002383163
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).