BioLiP

PDB

BioLiP

PDB CCD ID:

E24

Number of entries in BioLiP:

Chemical formula:

C15 H10 Cl2 F3 N O

InChI:

InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)

InChIKey:

JPTXMUZNWHRWNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F
ACDLabs 12.01	Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl

Name:

N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide

ZINC:

ZINC000006284606

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).