BioLiP

PDB

BioLiP

PDB CCD ID:

JL7

Number of entries in BioLiP:

Chemical formula:

C11 H6 F3 N O2 S

InChI:

InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)

InChIKey:

NFDUVSSDGPDOLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F
ACDLabs 12.01	c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F
CACTVS 3.385	OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F

Name:

2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

ZINC:

ZINC000002563893

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).