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BioLiP Library

PDB CCD ID: 5F6
Number of entries in BioLiP: 2
Chemical formula: C16 H9 Cl2 N O
InChI: InChI=1S/C16H9Cl2NO/c17-12-4-1-5-13(18)15(12)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H
InChIKey: LMXZTTBPURRZTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl
CACTVS 3.385Clc1cccc(Cl)c1C(=O)c2ccc3ncccc3c2
ACDLabs 12.01c1(cccc(c1C(c2ccc3c(c2)cccn3)=O)Cl)Cl
Name:(2,6-dichlorophenyl)(quinolin-6-yl)methanone
ChEMBL: CHEMBL4446675
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)(download the PDF file).
  • 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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