SEQ2FUN

BioLiP

PDB CCD ID: BBS
Number of entries in BioLiP: 0
Chemical formula: C10 H14 O3 S
InChI: InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
InChIKey: LZQMCUIWYRQLOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)c1ccc(cc1)S(=O)(=O)O
CACTVS 3.341CC(C)(C)c1ccc(cc1)[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)c1ccc(cc1)C(C)(C)C
Name:4-TERT-BUTYLBENZENESULFONIC ACID
DrugBank: DB07440
ZINC: ZINC000001565641
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).