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BioLiP Library

PDB CCD ID: Q8Z
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O3 S
InChI: InChI=1S/C8H11NO3S/c1-9(12-2)13(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey: MMJGXDYNUZWDSC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(OC)S(=O)(=O)c1ccccc1
CACTVS 3.385CON(C)[S](=O)(=O)c1ccccc1
Name:~{N}-methoxy-~{N}-methyl-benzenesulfonamide
ZINC: ZINC000001678448
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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