Ligand |
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| Ligand Name: 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium | ||
| HET ID: IVL | PubChem: 21578870 | |
| DrugBank: - | ChEMBL: CHEMBL3306340 | |
| Canonical SMILES: OC(=O)CCC[N+]1(C)CCCC1 | ||
| Standard InChI: InChI=1S/C9H17NO2/c1-10(6-2-3-7-10)8-4-5-9(11)12/h2-8H2,1H3/p+1 | ||
| Molecular Formula: C9H18NO2+ | Mol. Weight: 172.24472 | Heavy Atoms: 12 |
| Charge: 1 | Is Chiral: False | logP: 1.0504 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 12 | #Rotatable Bonds: 4 | Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | IC50 : 490 nM |