BioLiP

PDB

BioLiP

PDB CCD ID:

WF4

Number of entries in BioLiP:

Chemical formula:

C12 H8 F3 N O2 S

InChI:

InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)

InChIKey:

DRFFZMPSUPHSJN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c2ccc(c1nc(c(s1)C(=O)O)C)cc2
OpenEye OEToolkits 1.9.2	Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O

Name:

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

ZINC:

ZINC000000121884

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).