Ligand |
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| Ligand Name: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | ||
| HET ID: TNK | PubChem: 446515 | |
| DrugBank: DB08634 | ChEMBL: CHEMBL436546 | |
| Canonical SMILES: CC(c1c(=O)[nH]c(=O)n(c1Cc1ccccc1)COCc1ccccc1)C | ||
| Standard InChI: InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26) | ||
| Molecular Formula: C22H24N2O3 | Mol. Weight: 364.43756 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: False | logP: 3.4251 |
| HBD: 1 | HBA: 4 | TPSA: 64.09 |
| #Bonds: 30 | #Rotatable Bonds: 7 | Shape Complexity: 0.27272728 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 6 nM |