BioLiP

PDB

BioLiP

PDB CCD ID:

VIM

Number of entries in BioLiP:

Chemical formula:

C13 H8 Cl F O3

InChI:

InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17)

InChIKey:

XDDFAQWRNVXRFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)Cl)C(=O)O)Oc2ccc(cc2)F
CACTVS 3.385	OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2

Name:

2-chloranyl-6-(4-fluoranylphenoxy)benzoic 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).