BioLiP

PDB

BioLiP

PDB CCD ID:

SYA

Number of entries in BioLiP:

Chemical formula:

C8 H5 F3 O3

InChI:

InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)

InChIKey:

YVJHZWWMKFQKDC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1c(F)c(F)cc(C(O)=O)c1F
OpenEye OEToolkits 2.0.6	COc1c(c(cc(c1F)F)C(=O)O)F

Name:

2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid

ZINC:

ZINC000000403422

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).