Ligand

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Ligand Name:   methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
HET ID:   L0S PubChem:   146672926
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCN(CC)C(=NP(=O)(C)OC)C
Standard InChI:   InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3
Molecular Formula:   C8H19N2O2P Mol. Weight:   206.22243 Heavy Atoms:   13
Charge:   0 Is Chiral:   False logP:   2.2159
HBD:   0 HBA:   4 TPSA:   51.71
#Bonds:   12 #Rotatable Bonds:   5 Shape Complexity:   0.875
Stereocomplexity:   0.125
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens 6NTH
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Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens 6NTK
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