SEQ2FUN

BioLiP

PDB CCD ID: EC0
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Cl N2 O3
InChI: InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
InChIKey: VNHOFPGOOLRCLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]
CACTVS 3.385Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O
Name:7-chloranyl-5-nitro-quinolin-8-ol
ChEMBL: CHEMBL140425
ZINC: ZINC000001432257
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).