Ligand |
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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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SHOW |