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BioLiP

PDB CCD ID: L4K
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N O2 S
InChI: InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
InChIKey: XXGOKBCTMIKJHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7CCCCCc1ccc(cc1)S(=O)(=O)N
Name:4-pentylbenzenesulfonamide
ChEMBL: CHEMBL444536
ZINC: ZINC000002464613
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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