BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8D

Number of entries in BioLiP:

Chemical formula:

C13 H9 F3 N2 O3 S

InChI:

InChI=1S/C13H9F3N2O3S/c14-13(15,16)9-4-6-10(7-5-9)22(20,21)18-12(19)11-3-1-2-8-17-11/h1-8H,(H,18,19)

InChIKey:

CPWLQDMYBULSTL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccnc(c1)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccn2

Name:

~{N}-[4-(trifluoromethyl)phenyl]sulfonylpyridine-2-carboxamide

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).