SEQ2FUN

BioLiP

PDB CCD ID: QXB
Number of entries in BioLiP: 3
Chemical formula: C4 H8 O2 S
InChI: InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKey: HXJUTPCZVOIRIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S]1(=O)CCCC1
OpenEye OEToolkits 2.0.7C1CCS(=O)(=O)C1
Name:sulfolane;
thiolane 1,1-dioxide
ChEMBL: CHEMBL3186899
ZINC: ZINC000003860777
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).