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BioLiP

PDB CCD ID: WA4
Number of entries in BioLiP: 1
Chemical formula: C11 H5 F6 N O S2
InChI: InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H
InChIKey: LXUZVSQMUCQOSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc(c(c2nc1)O)SC(F)(F)F)SC(F)(F)F
CACTVS 3.385Oc1c(SC(F)(F)F)cc(SC(F)(F)F)c2cccnc12
ACDLabs 12.01FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O
Name:5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol
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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