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BioLiP

PDB CCD ID: VVJ
Number of entries in BioLiP: 1
Chemical formula: C9 H19 N O2 S
InChI: InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
InChIKey: UXPPTRFZLSZETL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C1CCCCCC1)S(=O)(=O)C
CACTVS 3.385CN(C1CCCCCC1)[S](C)(=O)=O
ACDLabs 12.01N(S(=O)(=O)C)(C1CCCCCC1)C
Name:N-cycloheptyl-N-methylmethanesulfonamide
ZINC: ZINC000065576535
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)(download the PDF file).
  • 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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