SEQ2FUN

BioLiP

PDB CCD ID: HZQ
Number of entries in BioLiP: 2
Chemical formula: C9 H6 Cl N O
InChI: InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKey: CTQMJYWDVABFRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)c2cccnc12
OpenEye OEToolkits 2.0.6c1cc2c(ccc(c2nc1)O)Cl
Name:5-chloranylquinolin-8-ol
ChEMBL: CHEMBL225164
DrugBank: DB15933
ZINC: ZINC000000001209
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).