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BioLiP

PDB CCD ID: IGF
Number of entries in BioLiP: 4
Chemical formula: C7 H11 N O2 S2
InChI: InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3
InChIKey: MQZNMDAQVFXGMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[S](=O)(=O)c1cc(C)sc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(s1)C)S(=O)(=O)NC
Name:N,2,5-trimethyl-3-thiophenesulfonamide
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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