BioLiP

PDB

BioLiP

PDB CCD ID:

WA4

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc(c(c2nc1)O)SC(F)(F)F)SC(F)(F)F
CACTVS 3.385	Oc1c(SC(F)(F)F)cc(SC(F)(F)F)c2cccnc12
ACDLabs 12.01	FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O

Name:

5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).