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BioLiP

PDB CCD ID: W1A
Number of entries in BioLiP: 1
Chemical formula: C7 H16 N2 O2 S
InChI: InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3
InChIKey: LULUGSQUPICPQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1CCC(CC1)CNS(=O)(=O)C
OpenEye OEToolkits 2.0.7CS(=O)(=O)NCC1CCNCC1
CACTVS 3.385C[S](=O)(=O)NCC1CCNCC1
Name:N-[(piperidin-4-yl)methyl]methanesulfonamide
ZINC: ZINC000004298645
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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