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BioLiP

PDB CCD ID: DCN
Number of entries in BioLiP: 4
Chemical formula: C12 H8 Cl2 O2
InChI: InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H
InChIKey: BYNQFCJOHGOKSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2cc(O)c(Oc1ccc(Cl)cc1)cc2
CACTVS 3.341Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1Oc2ccc(cc2O)Cl)Cl
Name:DICLOSAN
ChEMBL: CHEMBL1232142
DrugBank: DB04393
ZINC: ZINC000002027016
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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