SEQ2FUN

BioLiP

PDB CCD ID: NXN
Number of entries in BioLiP: 2
Chemical formula: C10 H11 Cl2 N O2 S
InChI: InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
InChIKey: ZKLFUOFLXGWIIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341SCCNC(=O)COc1ccc(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)NCCS
ACDLabs 10.04Clc1cc(Cl)ccc1OCC(=O)NCCS
Name:2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE;
DICA
ZINC: ZINC000005889266
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).