BioLiP

PDB

BioLiP

PDB CCD ID:

5Q9

Number of entries in BioLiP:

Chemical formula:

C10 H11 Cl2 N O

InChI:

InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3

InChIKey:

UENKEFYXNFQIIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(=O)N(C)Cc1c(cccc1Cl)Cl
CACTVS 3.385	CN(Cc1c(Cl)cccc1Cl)C(C)=O

Name:

~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide

ZINC:

ZINC000298391923

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).