SEQ2FUN

BioLiP

PDB CCD ID: GZQ
Number of entries in BioLiP: 2
Chemical formula: C9 H9 Cl2 N O
InChI: InChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
InChIKey: NVSSRRQIUAFBIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)N(C)c1ccc(cc1Cl)Cl
CACTVS 3.385CN(C(C)=O)c1ccc(Cl)cc1Cl
Name:~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
ChEMBL: CHEMBL4592515
ZINC: ZINC000000128993
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).