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BioLiP

PDB CCD ID: 5JC
Number of entries in BioLiP: 11
Chemical formula: C6 H4 Cl2 O
InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)cc1Cl
ACDLabs 12.01Clc1c(ccc(c1)Cl)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1Cl)Cl)O
Name:2,4-dichlorophenol
ChEMBL: CHEMBL1143
ZINC: ZINC000000388057
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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