Ligand |
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 | ||
| Ligand Name: A-232 nerve agent | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1043 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCN(CC)/C(C)=N/[P@](=O)(F)OC | ||
| Standard InChI: InChI=1S/C7H16FN2O2P/c1-5-10(6-2)7(3)9-13(8,11)12-4/h5-6H2,1-4H3/b9-7+/t13-/m0/s1 | ||
| Molecular Formula: C7H16FN2O2P | Mol. Weight: 210.09334 | logP: 2.4706 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 4 | TPSA: 41.9 | |
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) | 6NTH | L0S |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6NTK | L0S |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6NTL | L1M |
- |
- |
SHOW |