SEQ2FUN

BioLiP

PDB CCD ID: KM1
Number of entries in BioLiP: 10
Chemical formula: C16 H11 Cl2 N O
InChI: InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2
InChIKey: BIHPUIBBWFPTCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1cccc(COc2ccc(Cl)c3cccnc23)c1
ACDLabs 12.01Clc1cccc(c1)COc2ccc(Cl)c3cccnc23
OpenEye OEToolkits 1.7.0c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl
Name:5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
ZINC: ZINC000095920708
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).