Ligand |
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| Ligand Name: N5-(1-iminopentyl)-L-ornithine | ||
| Canonical SMILES: CCCCC(=N)NCCC[C@H](N)C(O)=O | ||
| Standard InChI: InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1 | ||
| HET Code: LN7 | PubChem: 10420835 | |
| DrugBank: - | ChEMBL: CHEMBL1234051 | |
| Molecular Formula: C10H21N3O2 | Mol. Weight: 215.16338 | logP: 0.93557 |
| HBD: 4 | HBA: 3 | |
| #Rotatable Bonds: 8 | TPSA: 99.2 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Addition to a Double Bond | CYS 274 | A | 12.54 | 13.14 | Amidine |  |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 7000 nM |