Ligand Download |
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Ligand Name: (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride | ||
HET ID: L2Y | PubChem: 146672928 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCN(CC)C(=NP(=O)(C)F)C | ||
Standard InChI: InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3 | ||
Molecular Formula: C7H16FN2OP | Mol. Weight: 194.1869 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 2.539 |
HBD: 0 | HBA: 3 | TPSA: 42.48 |
#Bonds: 11 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
Stereocomplexity: 0.14285715 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens | 6NTO |
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