BioLiP

PDB

BioLiP

PDB CCD ID:

GF8

Number of entries in BioLiP:

Chemical formula:

C10 H11 Cl2 N O S

InChI:

InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)

InChIKey:

ZRTLNSGWIWNTPL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1CC(=O)NCCS)Cl)Cl
CACTVS 3.385	SCCNC(=O)Cc1ccc(Cl)c(Cl)c1

Name:

2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide

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).