Ligand |
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| Ligand Name: Tabun | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB508 | PubChem: 12443193 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL1097650 | |
| Canonical SMILES: CCO[P@@](=O)(C#N)N(C)C | ||
| Standard InChI: InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3/t10-/m0/s1 | ||
| Molecular Formula: C5H11N2O2P | Mol. Weight: 162.05582 | logP: 1.25868 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 53.33 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus (Mouse) | 2C0Q | NTJ |
- |
- |
SHOW |
| Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus (Mouse) | 2C0P | ATJ |
- |
- |
SHOW |
| Platelet-activating factor acetylhydrolase | Q13093 (PAFA_HUMAN) | Homo sapiens (Human) | 3F98 | NTJ |
- |
- |
SHOW |