Ligand |
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| Ligand Name: chrysin | ||
| HET ID: 57D | PubChem: 5281607 | |
| DrugBank: DB15581 | ChEMBL: CHEMBL117 | |
| Canonical SMILES: Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 | ||
| Standard InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | ||
| Molecular Formula: C15H10O4 | Mol. Weight: 254.2375 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 2.8712 |
| HBD: 2 | HBA: 4 | TPSA: 70.67 |
| #Bonds: 21 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Ki : 19010 nM |