SEQ2FUN

BioLiP

PDB CCD ID: DZZ
Number of entries in BioLiP: 1
Chemical formula: C2 H7 O3 P S
InChI: InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)
InChIKey: WWJJVKAEQGGYHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COP(=S)(O)OC
CACTVS 3.341CO[P](O)(=S)OC
ACDLabs 10.04S=P(O)(OC)OC
Name:O,O-DIMETHYL HYDROGEN THIOPHOSPHATE;
DIMETHYL THIOPHOSPHATE
DrugBank: DB04687
ZINC: ZINC000016039348
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).