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BioLiP

PDB CCD ID: DPJ
Number of entries in BioLiP: 4
Chemical formula: C4 H11 O3 P S
InChI: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
InChIKey: PKUWKAXTAVNIJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOP(=S)(O)OCC
ACDLabs 10.04S=P(O)(OCC)OCC
CACTVS 3.341CCO[P](O)(=S)OCC
Name:O,O-DIETHYL HYDROGEN THIOPHOSPHATE
ChEMBL: CHEMBL1232328
DrugBank: DB07674
ZINC: ZINC000001565280
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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