Ligand |
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| Ligand Name: LYSINE | ||
| HET ID: LYS | PubChem: 24848423, 5460926, 641599 | |
| DrugBank: - | ChEMBL: CHEMBL1234128 | |
| Canonical SMILES: [NH3+]CCCC[C@@H](C(=O)O)N | ||
| Standard InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1 | ||
| Molecular Formula: C6H15N2O2+ | Mol. Weight: 147.1955 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: True | logP: -0.4892 |
| HBD: 3 | HBA: 3 | TPSA: 90.96 |
| #Bonds: 13 | #Rotatable Bonds: 5 | Shape Complexity: 0.8333333 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Kd : 13100 nM |
| Binding MOAD | Kd : 13100 nM |