Ligand |
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| Ligand Name: SPERMIDINE | ||
| HET ID: SPD | PubChem: 1102 | |
| DrugBank: DB03566 | ChEMBL: CHEMBL19612 | |
| Canonical SMILES: NCCCNCCCCN | ||
| Standard InChI: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | ||
| Molecular Formula: C7H19N3 | Mol. Weight: 145.24586 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: False | logP: 1.4552 |
| HBD: 3 | HBA: 3 | TPSA: 64.07 |
| #Bonds: 9 | #Rotatable Bonds: 7 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 3200 nM, Kd : 3200 nM |
| Binding MOAD | Kd : 3200 nM, Kd : 3200 nM |