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BioLiP

PDB CCD ID: 15O
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl
InChI: InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cccc2Cl
ACDLabs 12.01Clc2cccc1ccccc12
CACTVS 3.370Clc1cccc2ccccc12
Name:1-chloronaphthalene
ChEMBL: CHEMBL195338
ZINC: ZINC000001693310
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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