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BioLiP

PDB CCD ID: 5D4
Number of entries in BioLiP: 4
Chemical formula: C10 H20 N2 O2
InChI: InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKey: BNQSTAOJRULKNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)NCCCCCCNC(=O)C
CACTVS 3.385CC(=O)NCCCCCCNC(C)=O
Name:N-(6-ACETAMIDOHEXYL)ACETAMIDE
ChEMBL: CHEMBL291481
ZINC: ZINC000001615894
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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