SEQ2FUN

BioLiP

PDB CCD ID: NIT
Number of entries in BioLiP: 0
Chemical formula: C6 H6 N2 O2
InChI: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChIKey: TYMLOMAKGOJONV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=[N+]([O-])c1ccc(N)cc1
CACTVS 3.370Nc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.7.0c1cc(ccc1N)[N+](=O)[O-]
Name:4-NITROANILINE;
PARANITROANILINE
ChEMBL: CHEMBL14282
ZINC: ZINC000003860644
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).