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BioLiP

PDB CCD ID: BE0
Number of entries in BioLiP: 2
Chemical formula: C5 H12 N2 O2 S
InChI: InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
InChIKey: FLKRMXAWABTWSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)N1CCCCC1
OpenEye OEToolkits 1.7.0C1CCN(CC1)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)N1CCCCC1
Name:piperidine-1-sulfonamide
ChEMBL: CHEMBL169370
ZINC: ZINC000001714266
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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