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BioLiP

PDB CCD ID: EEK
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl2 N2 O3
InChI: InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)
InChIKey: ZGACHNBRFOETSO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl
CACTVS 3.385ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
Name:~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide
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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