BioLiP

PDB

BioLiP

PDB CCD ID:

YO6

Number of entries in BioLiP:

Chemical formula:

C11 H9 F N2 O2 S

InChI:

InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)

InChIKey:

DKMOQDZYPOFTDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1Nc2nc(cs2)CC(=O)O)F
CACTVS 3.385	OC(=O)Cc1csc(Nc2ccc(F)cc2)n1
ACDLabs 12.01	O=C(O)Cc1csc(Nc2ccc(F)cc2)n1

Name:

[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic 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).