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BioLiP

PDB CCD ID: KM0
Number of entries in BioLiP: 16
Chemical formula: C16 H12 Cl N O
InChI: InChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey: LPPVIXWNCVGAJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc(OCc2ccccc2)c3ncccc13
OpenEye OEToolkits 1.7.0c1ccc(cc1)COc2ccc(c3c2nccc3)Cl
ACDLabs 12.01Clc2ccc(OCc1ccccc1)c3ncccc23
Name:8-(benzyloxy)-5-chloroquinoline
ZINC: ZINC000060705805
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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