SEQ2FUN

BioLiP

PDB CCD ID: L9B
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N O3 S
InChI: InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
InChIKey: NCRQTZXHMKBWLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(CCCCO)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCCCO)S(=O)(=O)N
Name:4-(4-oxidanylbutyl)benzenesulfonamide
ChEMBL: CHEMBL316582
ZINC: ZINC000013825339
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).