Ligand |
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| Ligand Name: VX | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1452 | PubChem: 13476757 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCO[P@](C)(=O)SCCN(C(C)C)C(C)C | ||
| Standard InChI: InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3/t15-/m0/s1 | ||
| Molecular Formula: C11H26NO2PS | Mol. Weight: 267.14218 | logP: 3.6978 |
| HBD: 0 | HBA: 4 | |
| #Rotatable Bonds: 8 | TPSA: 29.54 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Acetylcholinesterase | P04058 (ACES_TETCF) | Tetronarce californica (Pacific electric ray) (Torpedo californica) | 1VXR | VX |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6CQW | VX |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6CQT | VX |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6CQZ | VX |
- |
- |
SHOW |
| Cholinesterase | P06276 (CHLE_HUMAN) | Homo sapiens (Human) | 2XQK | VX |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6U37 | VX |
- |
- |
SHOW |
| Cholinesterase | P06276 (CHLE_HUMAN) | Homo sapiens (Human) | 2XQF | VX |
- |
- |
SHOW |
| Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens (Human) | 6CQX | VX |
- |
- |
SHOW |
| Cholinesterase | P06276 (CHLE_HUMAN) | Homo sapiens (Human) | 2XQJ | VX |
- |
- |
SHOW |