Ligand |
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| Ligand Name: N-(tert-butoxycarbonyl)-L-tyrosine | ||
| HET ID: B1C | PubChem: 117439 | |
| DrugBank: - | ChEMBL: CHEMBL65386 | |
| Canonical SMILES: OC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OC(C)(C)C | ||
| Standard InChI: InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 | ||
| Molecular Formula: C14H19NO5 | Mol. Weight: 281.30435 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: 2.3035 |
| HBD: 3 | HBA: 6 | TPSA: 95.86 |
| #Bonds: 21 | #Rotatable Bonds: 7 | Shape Complexity: 0.42857143 |
| Stereocomplexity: 0.071428575 | Ligand Type: Small Molecule | |
Binding Affinity |
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