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BioLiP

PDB CCD ID: 5RD
Number of entries in BioLiP: 1
Chemical formula: C11 H18 N2 O2 S
InChI: InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15)
InChIKey: RHYZDWOMWDFYOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCNCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCCNCc1ccc(cc1)[S](N)(=O)=O
Name:4-(butylaminomethyl)benzenesulfonamide
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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