Ligand |
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| Ligand Name: 3-bromo-N-[3-(tert-butylamino)propyl]benzamide | ||
| HET ID: 3OO | PubChem: 78673861 | |
| DrugBank: - | ChEMBL: CHEMBL4172977 | |
| Canonical SMILES: Brc1cccc(c1)C(=O)NCCCNC(C)(C)C | ||
| Standard InChI: InChI=1S/C14H21BrN2O/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: C14H21BrN2O | Mol. Weight: 313.23334 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 3.7389 |
| 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 | Kd : 22000 nM, Kd : 29000 nM, Kd : 30000 nM |