Ligand |
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| Ligand Name: N-[3-(tert-butylamino)propyl]-3-iodobenzamide | ||
| HET ID: K6P | PubChem: 8699243 | |
| DrugBank: - | ChEMBL: CHEMBL4160535 | |
| Canonical SMILES: Ic1cccc(c1)C(=O)NCCCNC(C)(C)C | ||
| Standard InChI: InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18) | ||
| Molecular Formula: C14H21IN2O | Mol. Weight: 360.2338 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 3.581 |
| HBD: 2 | HBA: 3 | TPSA: 41.13 |
| #Bonds: 18 | #Rotatable Bonds: 7 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 13000 nM |