SEQ2FUN

BioLiP

PDB CCD ID: A1CVK
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Cl2 N O
InChI: InChI=1S/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey: XXFUNTSOBHSMBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(c(cc1Cl)Cl)C(=O)N
CACTVS 3.385NC(=O)c1ccc(Cl)cc1Cl
ACDLabs 14.52O=C(N)c1ccc(Cl)cc1Cl
Name:2,4-dichlorobenzamide
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).