Ligand |
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| Ligand Name: 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol | ||
| HET ID: SW4 | PubChem: 45254040 | |
| DrugBank: - | ChEMBL: CHEMBL2024087 | |
| Canonical SMILES: OCC[C@H]1C[C@@H]1c1cncc(c1)OC[C@@H]1CCN1 | ||
| Standard InChI: InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1 | ||
| Molecular Formula: C14H20N2O2 | Mol. Weight: 248.3208 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: 1.637 |
| HBD: 2 | HBA: 4 | TPSA: 54.38 |
| #Bonds: 23 | #Rotatable Bonds: 6 | Shape Complexity: 0.64285713 |
| Stereocomplexity: 0.21428572 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Ki : 12.800000190734863 nM |
| Binding MOAD | Ki : 12.800000190734863 nM |