SEQ2FUN

BioLiP

PDB CCD ID: NBZ
Number of entries in BioLiP: 9
Chemical formula: C6 H5 N O2
InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+](=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[N+](=O)[O-]
Name:NITROBENZENE
ChEMBL: CHEMBL15750
ZINC: ZINC000000896426
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).