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BioLiP

PDB CCD ID: LJR
Number of entries in BioLiP: 2
Chemical formula: C8 H17 N O2 S
InChI: InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKey: PFWYRMPHHJKJBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[S](=O)(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7CNS(=O)(=O)CC1CCCCC1
ACDLabs 12.01O=S(=O)(CC1CCCCC1)NC
Name:1-cyclohexyl-N-methylmethanesulfonamide
ZINC: ZINC000042520684
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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