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BioLiP

PDB CCD ID: 6YP
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N O2 S
InChI: InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
InChIKey: IWEMSJAOIKQBBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCCCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCCc1ccc(cc1)[S](N)(=O)=O
Name:4-butylbenzenesulfonamide
ChEMBL: CHEMBL150043
ZINC: ZINC000002472843
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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