BioLiP

PDB

BioLiP

PDB CCD ID:

RWP

Number of entries in BioLiP:

Chemical formula:

C10 H8 F3 N O3

InChI:

InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

InChIKey:

MDDVOSSRTNAXHJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F
ACDLabs 12.01	c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC
CACTVS 3.385	COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1

Name:

methyl 4-[(trifluoroacetyl)amino]benzoate

ZINC:

ZINC000000283931

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).