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BioLiP

PDB CCD ID: O48
Number of entries in BioLiP: 1
Chemical formula: C10 H23 N O3 S
InChI: InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
InChIKey: JBKMRMOTMJVNML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=S(=O)(OCCCCCCCCCC)N
OpenEye OEToolkits 1.7.0CCCCCCCCCCOS(=O)(=O)N
CACTVS 3.352CCCCCCCCCCO[S](N)(=O)=O
Name:decyl sulfamate;
n-decyl sulfamate
ChEMBL: CHEMBL153094
ZINC: ZINC000034718172
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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