Ligand
Ligand Name:   A-230 nerve agent
Ligand Type:   non-polymer
Ligand ID:   COVPDB1045 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCN(CC)C(\C)=N\[P@@](C)(F)=O
Standard InChI:   InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m1/s1
Molecular Formula:   C7H16FN2OP Mol. Weight:   194.09843 logP:   2.539
HBD:   0 HBA:   1
#Rotatable Bonds:   3 TPSA:   32.67

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens (Human) 6NTO L2Y
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