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BioLiP

PDB CCD ID: 5JD
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Cl2 O
InChI: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: WDNBURPWRNALGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)c(Cl)c1
ACDLabs 12.01c1c(Cl)c(Cl)ccc1O
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)Cl)Cl
Name:3,4-dichlorophenol
ChEMBL: CHEMBL1549385
ZINC: ZINC000000388513
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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