Ki Summary

Reaction Details

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Target

[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial

Ligand

BDBM50232910

Substrate

n/a

Meas. Tech.

ChEMBL_1649543 (CHEMBL3998677)

IC50

432±n/a nM

Citation

Tso, SC; Lou, M; Wu, CY; Gui, WJ; Chuang, JL; Morlock, LK; Williams, NS; Wynn, RM; Qi, X; Chuang, DT Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J Med Chem 60:1142-1150 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial

Synonyms:

PDHK2 | PDK2 | PDK2_HUMAN | Pyruvate dehydrogenase kinase 2 (PDK2) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK2)

Type:

Enzyme

Mol. Mass.:

46153.78

Organism:

Homo sapiens (Human)

Description:

Q15119

Residue:

407

Sequence:

MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS

Inhibitor

Name:

BDBM50232910

Synonyms:

CHEMBL4097134

Type:

Small organic molecule

Emp. Form.:

C26H33N3O8S

Mol. Mass.:

547.621

SMILES:

O[C@@H]1CC(C[C@@H](O)[C@H]1O)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r,wU:5.5,7.8,wD:1.0,(30.24,-16.6,;29.48,-15.26,;27.95,-15.26,;27.18,-13.93,;27.95,-12.59,;29.49,-12.6,;30.27,-11.27,;30.26,-13.93,;31.8,-13.94,;25.64,-13.93,;24.87,-12.59,;24.87,-15.26,;25.64,-16.6,;24.87,-17.92,;23.33,-17.92,;22.56,-16.6,;23.33,-15.26,;22.56,-19.26,;21.02,-19.26,;20.25,-17.94,;18.72,-17.94,;17.96,-19.27,;16.46,-19.59,;16.3,-21.13,;17.71,-21.75,;18.73,-20.59,;20.26,-20.59,;14.96,-21.9,;15.73,-23.23,;14.19,-23.23,;13.63,-21.14,;13.63,-19.59,;12.29,-18.82,;10.96,-19.59,;9.63,-18.82,;10.96,-21.14,;12.3,-21.91,;12.3,-23.45,)|

Structure: