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BioLiP

PDB CCD ID: A1AJ6
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O2 S
InChI: InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
InChIKey: NAEICDPYHCEZMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(C)(=O)NC1CCNCC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)NC1CCNCC1
CACTVS 3.385C[S](=O)(=O)NC1CCNCC1
Name:N-(piperidin-4-yl)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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