Allosteric inhibitor of ABL1
Protein target names: ABL1
Mechanism of action: Allosteric inhibitor
In Vitro Validations
Uniprot ID: P00519
Target Class: Protein kinase
Target SubClass: TK
Potency Value: 0.22 nM
Potency Assay: pyruvate kinase-lactate dehydrogenase based ABL kinase assay
PDB ID for probe-target interaction (3D structure): 3K5V
Structure-activity relationship: The structure–activity relations are fully consistent with the conformation of GNF-2 observed in the crystal structure: the trifluoromethoxy group of GNF-2 can only be accommodated at the para position; the aniline NH is required because of the formation of a water-mediated hydrogen bond to the backbone carbonyls of A433 and E462; water-mediated hydrogen bonds between the carboxamide of GNF-2 and Abl confer enhanced inhibitory activity; and the extended compound conformation is required to fit the cylindrical binding cavity.
Tyrosine-protein kinase ABL1, JTK7, ABL, ABL1, ABL ...
In Cell Validations
In Vivo Data
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