Ligand |
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| Ligand Name: 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE | ||
| HET ID: U12 | PubChem: 11840988 | |
| DrugBank: DB08666 | ChEMBL: CHEMBL1615262 | |
| Canonical SMILES: NC1=C(/N=N/c2cccc(c2)C(F)(F)F)C(=N)N=N1 | ||
| Standard InChI: InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+ | ||
| Molecular Formula: C10H7F3N6 | Mol. Weight: 268.198 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 3.0312 |
| HBD: 2 | HBA: 6 | TPSA: 99.31 |
| #Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.1 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | IC50 : 250 nM |
| BindingDB | IC50 : 250 nM |
| Binding MOAD | IC50 : 250 nM |