Ligand |
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| Ligand Name: NOR-N-OMEGA-HYDROXY-L-ARGININE | ||
| HET ID: NNH | PubChem: 26248652, 446124 | |
| DrugBank: DB02381 | ChEMBL: CHEMBL1234777 | |
| Canonical SMILES: ONC(=N)NCC[C@@H](C(=O)O)N | ||
| Standard InChI: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1 | ||
| Molecular Formula: C5H12N4O3 | Mol. Weight: 176.17378 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: -0.1266 |
| HBD: 6 | HBA: 7 | TPSA: 131.46 |
| #Bonds: 12 | #Rotatable Bonds: 6 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 47.5099983215332 nM |
| BindingDB | Kd : 47 nM, Kd : 2000 nM |
| Binding MOAD | Kd : 47.5099983215332 nM |