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BioLiP

PDB CCD ID: 5Q9
Number of entries in BioLiP: 1
Chemical formula: C10 H11 Cl2 N O
InChI: InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKey: UENKEFYXNFQIIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(=O)N(C)Cc1c(cccc1Cl)Cl
CACTVS 3.385CN(Cc1c(Cl)cccc1Cl)C(C)=O
Name:~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
ZINC: ZINC000298391923
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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