Ligand |
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| Ligand Name: RIVASTIGMINE | ||
| Canonical SMILES: CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C | ||
| Standard InChI: InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | ||
| HET Code: EMM | PubChem: 77991 | |
| DrugBank: DB00989 | ChEMBL: CHEMBL636 | |
| Molecular Formula: C14H22N2O2 | Mol. Weight: 250.16812 | logP: 2.7597 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 32.78 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 200 | A | 10.69 | - | Carbamate |  |
Binding Affinity |
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