SEQ2FUN

BioLiP

PDB CCD ID: CQL
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Cl I N O
InChI: InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey: QCDFBFJGMNKBDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc(c(c2nc1)O)I)Cl
ACDLabs 11.02Ic1c(O)c2ncccc2c(Cl)c1
CACTVS 3.352Oc1c(I)cc(Cl)c2cccnc12
Name:5-chloro-7-iodoquinolin-8-ol;
Clioquinol
ChEMBL: CHEMBL497
DrugBank: DB04815
ZINC: ZINC000006409735
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).