SEQ2FUN

BioLiP

PDB CCD ID: 2ZQ
Number of entries in BioLiP: 1
Chemical formula: C9 H6 N2 O2
InChI: InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
InChIKey: OQHHSGRZCKGLCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2cccnc2c(c1)[N+](=O)[O-]
ACDLabs 12.01
CACTVS 3.385		[O-][N+](=O)c1cccc2cccnc12
Name:8-nitroquinoline
ChEMBL: CHEMBL167727
ZINC: ZINC000000334909
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).