SEQ2FUN

BioLiP

PDB CCD ID: 4NB
Number of entries in BioLiP: 25
Chemical formula: C7 H5 N O4
InChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)[N+](=O)[O-]
ACDLabs 10.04O=[N+]([O-])c1ccc(C(=O)O)cc1
Name:4-NITROBENZOIC ACID;
PARA NITROBENZOIC ACID
ChEMBL: CHEMBL101263
ZINC: ZINC000001688307
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).