Ligand |
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| Ligand Name: (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | ||
| HET ID: R01 | PubChem: 445986 | |
| DrugBank: DB03234 | ChEMBL: CHEMBL65230 | |
| Canonical SMILES: C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C | ||
| Standard InChI: InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3 | ||
| Molecular Formula: C24H22BrNO | Mol. Weight: 420.34158 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: False | logP: 5.9649 |
| HBD: 0 | HBA: 2 | TPSA: 20.31 |
| #Bonds: 29 | #Rotatable Bonds: 7 | Shape Complexity: 0.125 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | IC50 : 29 nM |
| BindingDB | IC50 : 29 nM |