Ligand |
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| Ligand Name: ALPHA-DIFLUOROMETHYLORNITHINE | ||
| HET ID: DMO | PubChem: 550880 | |
| DrugBank: DB03856 | ChEMBL: CHEMBL222838 | |
| Canonical SMILES: NCCCC(N)C | ||
| Standard InChI: InChI=1S/C5H14N2/c1-5(7)3-2-4-6/h5H,2-4,6-7H2,1H3 | ||
| Molecular Formula: C5H14N2 | Mol. Weight: 102.17806 | Heavy Atoms: 7 |
| Charge: 0 | Is Chiral: True | logP: 1.4731 |
| HBD: 2 | HBA: 2 | TPSA: 52.04 |
| #Bonds: 6 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Ki : 3900000 nM |