Ligand

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Ligand Name:   ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
HET ID:   L1M PubChem:   406169230
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCOP(=O)/N=C(/N(CC)CC)C
Standard InChI:   InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+
Molecular Formula:   C8H19N2O2P Mol. Weight:   206.22243 Heavy Atoms:   13
Charge:   0 Is Chiral:   False logP:   2.1728
HBD:   1 HBA:   4 TPSA:   65.37
#Bonds:   12 #Rotatable Bonds:   6 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 6NTL
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