BioLiP

PDB

BioLiP

PDB CCD ID:

FLF

Number of entries in BioLiP:

Chemical formula:

C14 H10 F3 N O2

InChI:

InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

InChIKey:

LPEPZBJOKDYZAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
CACTVS 3.341	OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04	FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O

Name:

2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID;
FLUFENAMIC ACID

ChEMBL:

CHEMBL23588

DrugBank:

DB02266

ZINC:

ZINC000000086535

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).