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BioLiP

PDB CCD ID: B1T
Number of entries in BioLiP: 9
Chemical formula: C12 H6 Cl4 O2 S
InChI: InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey: JFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
ACDLabs 10.04Clc2cc(Cl)cc(Sc1cc(Cl)cc(Cl)c1O)c2O
CACTVS 3.341Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O
Name:2,2'-sulfanediylbis(4,6-dichlorophenol)
ChEMBL: CHEMBL290106
DrugBank: DB04813
ZINC: ZINC000000608213
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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