Ligand |
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Ligand Name: TA6 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1380 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCN[P@@](F)(=O)OCC | ||
Standard InChI: InChI=1S/C5H13FNO2P/c1-3-5-7-10(6,8)9-4-2/h3-5H2,1-2H3,(H,7,8)/t10-/m0/s1 | ||
Molecular Formula: C5H13FNO2P | Mol. Weight: 169.06679 | logP: 2.1001 |
HBD: 1 | HBA: 2 | |
#Rotatable Bonds: 5 | TPSA: 38.33 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cholinesterase | P06276 (CHLE_HUMAN) | Homo sapiens (Human) | 2WIK | TC5 | Kd : 660000 nM | PDBBind | SHOW |