BioLiP

PDB

BioLiP

PDB CCD ID:

LFZ

Number of entries in BioLiP:

Chemical formula:

C16 H10 F6 O2

InChI:

InChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)

InChIKey:

QXUJSELRLOECDC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F

Name:

2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid

ChEMBL:

CHEMBL4451817

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).