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BioLiP

PDB CCD ID: L4Q
Number of entries in BioLiP: 1
Chemical formula: C12 H19 N O2 S
InChI: InChI=1S/C12H19NO2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H2,13,14,15)
InChIKey: QGCVBPONRAFDHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCCCCc1ccc(cc1)[S](N)(=O)=O
Name:4-hexylbenzenesulfonamide
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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