CGI1746

ATP-competitive inhbitor of BTK

Structure

Information

Protein target names: BTK

Mechanism of action: ATP-competitive inhbitor

Recommended in-cell concentration:
30 nm - 1 uM

In Vitro Validations

Uniprot ID: Q06187
Target Class: Kinase
Target SubClass: TK
Potency: Kd
Potency Value: 1.5 nM
Potency Assay: Lanthascreen assay
PDB ID for probe-target interaction (3D structure): 3OCS
Structure-activity relationship: Hit-to-lead chemistry confirmed the importance of the hydrogen bond donor-acceptor arrangement provided by the amino-imidazopyrazine, identified bioisosteric hinge binding motifs and highlighted the para position of the 8-aniline ring as a promiscuous site tolerant of diverse substitutions. Notably, we found the t-butylphenyl amide to be a critical pharmacophore for potency and selectivity.
Target aliases:
Tyrosine-protein kinase BTK, AGMX1, BTK, BTK_HUMAN ...

DOI Reference: 10.1038/nchembio.481

Uniprot ID: Q06187
Target Class: Kinase
Target SubClass: TK
Potency: IC50
Potency Value: 1.9 nM
Potency Assay: In vitro kinase assay
PDB ID for probe-target interaction (3D structure): --
Target aliases:
Tyrosine-protein kinase BTK, AGMX1, BTK, BTK_HUMAN ...

DOI Reference: 10.1038/nchembio.481

In Cell Validations

In Vivo Data

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SERP ratings and comments


SERP Ratings

In Cell Rating
In Model Organisms

(last updated: 14 Jun 2016 )

SERP Ratings

In Cell Rating
In Model Organisms

SERP Comments:

Exceptional kinase selectivity for BTK.

(last updated: 6 Sept 2016 )

SERP Ratings

In Cell Rating
In Model Organisms

(last updated: 7 Jun 2017 )