SEQ2FUN

BioLiP

PDB CCD ID: HNQ
Number of entries in BioLiP: 3
Chemical formula: C9 H6 N2 O3
InChI: InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChIKey: RJIWZDNTCBHXAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]
ACDLabs 12.01[O-][N+](=O)c1ccc(O)c2ncccc12
CACTVS 3.370Oc1ccc(c2cccnc12)[N+]([O-])=O
Name:5-nitroquinolin-8-ol;
NITROXOLINE
ChEMBL: CHEMBL1454910
DrugBank: DB01422
ZINC: ZINC000015831592
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).