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BioLiP

PDB CCD ID: RG6
Number of entries in BioLiP: 1
Chemical formula: C8 H3 Cl F6 O S2
InChI: InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H
InChIKey: VFNOHWLGFSZWDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F
ACDLabs 12.01Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F
OpenEye OEToolkits 2.0.7c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F
Name:2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
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)(download the PDF file).
  • 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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