Ligand |
||
 | ||
| Ligand Name: 2-AMINO-3-GUANIDINO-PROPIONIC ACID | ||
| HET ID: GPA | PubChem: 160635 | |
| DrugBank: - | ChEMBL: CHEMBL20667 | |
| Canonical SMILES: NC(=N)NC[C@@H](C(=O)O)N | ||
| Standard InChI: InChI=1S/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1 | ||
| Molecular Formula: C4H10N4O2 | Mol. Weight: 146.1478 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: True | logP: -0.2274 |
| HBD: 5 | HBA: 6 | TPSA: 125.22 |
| #Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.25 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Ki : 55000000 nM |