SEQ2FUN

BioLiP

PDB CCD ID: NSA
Number of entries in BioLiP: 0
Chemical formula: C8 H7 Cl2 N O
InChI: InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
InChIKey: KJSVAEGLTPBKAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1ccccc1)C(Cl)Cl
CACTVS 3.341ClC(Cl)C(=O)Nc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)C(Cl)Cl
Name:2,2-DICHLORO-N-PHENYL-ACETAMIDE
ChEMBL: CHEMBL1234834
ZINC: ZINC000001564818
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).