Ligand
Ligand Name:   Echothiophate
Ligand Type:   non-polymer
Ligand ID:   COVPDB754 PubChem:   10548
Synonym(s):  
  •   ecothiopate
  • ecothiopatum
  • 6736-03-4
  • phospholine iodide
  • unii-0f350bvt6s
  • 0f350bvt6s
  • chebi:4753
  • brn 1794025
  • schembl1048167
  • chembl1201341
  • (2-mercaptoethyl)trimethylammonium s-ester with o,o'-diethylphosphorothioate
  • db01057
  • ammonium, (2-mercaptoethyl)trimethyl-, s-ester with o,o-diethylphosphorothioate
  • ncgc00522018-01
  • (2-diethoxyphosphinylthioethyl)trimethylammonium
  • c06975
  • q4352952
  • diethyl {[2-(trimethylazaniumyl)ethyl]sulfanyl}phosphonate
  • 2-[(diethoxyphosphoryl)sulfanyl]-n,n,n-trimethylethanaminium
  • 2-(diethoxyphosphorylsulfanyl)ethyl-n,n,n-trimethylazanium iodide
show 19 synonym(s)
DrugBank:   DB01057 ChEMBL:   CHEMBL1201341
Canonical SMILES:   CCOP(=O)(OCC)SCC[N+](C)(C)C
Standard InChI:   InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
Molecular Formula:   C9H23NO3PS+ Mol. Weight:   256.11307 logP:   2.6069
HBD:   0 HBA:   4
#Rotatable Bonds:   8 TPSA:   35.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cholinesterase P06276 (CHLE_HUMAN) Homo sapiens (Human) 1XLV EFS
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Cholinesterase P06276 (CHLE_HUMAN) Homo sapiens (Human) 2WSL EFS
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