BioLiP

PDB

BioLiP

PDB CCD ID:

W4C

Number of entries in BioLiP:

Chemical formula:

C11 H13 Cl2 N O2

InChI:

InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3

InChIKey:

DREHLOUTGXFLNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CCO)C(=O)c1ccc(cc1Cl)Cl
ACDLabs 12.01	O=C(c1ccc(Cl)cc1Cl)N(CC)CCO
CACTVS 3.385	CCN(CCO)C(=O)c1ccc(Cl)cc1Cl

Name:

2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide

ZINC:

ZINC000012020960

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).