SEQ2FUN

BioLiP

PDB CCD ID: DTD
Number of entries in BioLiP: 0
Chemical formula: C4 H8 O2 S2
InChI: InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKey: YPGMOWHXEQDBBV-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1CSSC[CH]1O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](CSS1)O)O
ACDLabs 10.04OC1CSSCC1O
CACTVS 3.341O[C@H]1CSSC[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(C(CSS1)O)O
Name:DITHIANE DIOL
DrugBank: DB01822
ZINC: ZINC000004095547
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).