Ligand |
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| Ligand Name: (2S)-1-phenylpropan-2-amine | ||
| HET ID: 1WE | PubChem: 5826 | |
| DrugBank: DB00182 | ChEMBL: CHEMBL612 | |
| Canonical SMILES: C[C@@H](Cc1ccccc1)N | ||
| Standard InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 | ||
| Molecular Formula: C9H13N | Mol. Weight: 135.20622 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: True | logP: 2.2766 |
| HBD: 1 | HBA: 1 | TPSA: 26.02 |
| #Bonds: 11 | #Rotatable Bonds: 2 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.11111111 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Kd : 20700 nM |