BioLiP

PDB

BioLiP

PDB CCD ID:

2O8

Number of entries in BioLiP:

Chemical formula:

C8 H6 F3 N O S

InChI:

InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

InChIKey:

ILYWYSLTZOUSID-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1ccc(SC(F)(F)F)cc1
ACDLabs 12.01	FC(F)(F)Sc1ccc(cc1)C(=O)N
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(=O)N)SC(F)(F)F

Name:

4-[(trifluoromethyl)sulfanyl]benzamide

ZINC:

ZINC000003306788

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).