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BioLiP Library

PDB CCD ID: V1E
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N O2 S
InChI: InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
InChIKey: WZKOKGOAHBIPCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)[S](=O)(=O)c1ccc(C)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N(C)C
Name:~{N},~{N},4-trimethylbenzenesulfonamide
ZINC: ZINC000004301114
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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