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BioLiP

PDB CCD ID: A1A3S
Number of entries in BioLiP: 4
Chemical formula: C9 H18 N2 O3 S
InChI: InChI=1S/C9H18N2O3S/c1-10(15(2,13)14)8-9(12)11-6-4-3-5-7-11/h3-8H2,1-2H3
InChIKey: CPSZUJVUZDHXHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(CC(=O)N1CCCCC1)S(=O)(=O)C
CACTVS 3.385CN(CC(=O)N1CCCCC1)[S](C)(=O)=O
ACDLabs 14.52O=C(CN(C)S(C)(=O)=O)N1CCCCC1
Name:N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
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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