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BioLiP

PDB CCD ID: ZUG
Number of entries in BioLiP: 2
Chemical formula: C7 H10 N2 O2 S
InChI: InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKey: HGZULNNLLFYOFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)[S](=O)(=O)c1cccnc1
ACDLabs 12.01O=S(=O)(c1cccnc1)N(C)C
OpenEye OEToolkits 2.0.7CN(C)S(=O)(=O)c1cccnc1
Name:N,N-dimethylpyridine-3-sulfonamide
ZINC: ZINC000004208850
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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