Ligand |
||
 | ||
| Ligand Name: 6-AMINO-3-METHYLPURINE | ||
| HET ID: 3MA | PubChem: 447782 | |
| DrugBank: - | ChEMBL: CHEMBL1230146 | |
| Canonical SMILES: C[n+]1cnc(c2c1[nH]cn2)N | ||
| Standard InChI: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1 | ||
| Molecular Formula: C6H8N5+ | Mol. Weight: 150.16122 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: -0.0542 |
| HBD: 2 | HBA: 3 | TPSA: 71.47 |
| #Bonds: 13 | #Rotatable Bonds: 0 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 86000 nM |
| Binding MOAD | Kd : 86000 nM |