Ligand

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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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