Ligand |
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| Ligand Name: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one | ||
| HET ID: 8W9 | PubChem: 757168 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NCc1ccc2c(c1)n(C)c(=O)n2C | ||
| Standard InChI: InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3 | ||
| Molecular Formula: C10H13N3O | Mol. Weight: 191.22972 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 1.036 |
| HBD: 1 | HBA: 4 | TPSA: 52.95 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.3 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 104000 nM |