Ligand |
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| Ligand Name: 1,4-DIAMINOBUTANE | ||
| HET ID: PUT | PubChem: 1045 | |
| DrugBank: DB01917 | ChEMBL: CHEMBL46257 | |
| Canonical SMILES: NCCCCN | ||
| Standard InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 | ||
| Molecular Formula: C4H12N2 | Mol. Weight: 88.15148 | Heavy Atoms: 6 |
| Charge: 0 | Is Chiral: False | logP: 1.0846 |
| HBD: 2 | HBA: 2 | TPSA: 52.04 |
| #Bonds: 5 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 3 nM |
| Binding MOAD | Kd : 3 nM |