BioLiP

PDB

BioLiP

PDB CCD ID:

ZKR

Number of entries in BioLiP:

Chemical formula:

C5 H4 B F3 O2 S

InChI:

InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H

InChIKey:

NHBZQJOZVBHDAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)c1ccc(s1)B(O)O
CACTVS 3.385	OB(O)c1sc(cc1)C(F)(F)F
OpenEye OEToolkits 2.0.7	B(c1ccc(s1)C(F)(F)F)(O)O

Name:

[5-(trifluoromethyl)thiophen-2-yl]boronic acid

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).