SEQ2FUN

BioLiP

PDB CCD ID: CXH
Number of entries in BioLiP: 2
Chemical formula: C8 H7 Cl2 N O S
InChI: InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKey: OXXGBQLQQBKIJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1NC(=O)CS)Cl)Cl
CACTVS 3.385SCC(=O)Nc1ccc(Cl)c(Cl)c1
Name:~{N}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide
ChEMBL: CHEMBL4639584
ZINC: ZINC000000111813
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).