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Target
Serine/threonine-protein kinase TAO2
Ligand
BDBM50536352
Substrate
n/a
Meas. Tech.
ChEMBL_1933645 (CHEMBL4479297)
IC50
1400±n/a nM
Citation
 Piala, AT; Akella, R; Potts, MB; Dudics-Giagnocavo, SA; He, H; Wei, S; White, MA; Posner, BA; Goldsmith, EJ Discovery of novel TAOK2 inhibitor scaffolds from high-throughput screening. Bioorg Med Chem Lett 26:3923-7 (2016) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase TAO2
Synonyms:
2.7.11.1 | Serine/threonine-protein kinase TAO2 | TAOK2_RAT | Tao2 | Taok2 | Thousand and one amino acid protein 2
Type:
PROTEIN
Mol. Mass.:
138761.39
Organism:
Rattus norvegicus
Description:
ChEMBL_119215
Residue:
1235
Sequence:
MPAGGRAGSLKDPDVAELFFKDDPEKLFSDLREIGHGSFGAVYFARDVRNSEVVAIKKMSYSGKQSNEKWQDIIKEVRFLQKLRHPNTIQYRGCYLREHTAWLVMEYCLGSASDLLEVHKKPLQEVEIAAVTHGALQGLAYLHSHNMIHRDVKAGNILLSEPGLVKLGDFGSASIMAPANSFVGTPYWMAPEVILAMDEGQYDGKVDVWSLGITCIELAERKPPLFNMNAMSALYHIAQNESPALQSGHWSEYFRNFVDSCLQKIPQDRPTSEVLLKHRFVLRERPPTVIMDLIQRTKDAVRELDNLQYRKMKKILFQEAPNGPGAEAPEEEEEAEPYMHRAGTLTSLESSHSVPSMSISASSQSSSVNSLADASDNEEEEEEEEEEEEEEEEEGPESREMAMMQEGEHTVTSHSSIIHRLPGSDNLYDDPYQPEMTPGPLQPPAAPPTSTSSSSARRRAYCRNRDHFATIRTASLVSRQIQEHEQDSALREQLSGYKRMRRQHQKQLLALESRLRGEREEHSGRLQRELEAQRAGFGTEAEKLARRHQAIGEKEARAAQAEERKFQQHILGQQKKELAALLEAQKRTYKLRKEQLKEELQENPSTPKREKAEWLLRQKEQLQQCQAEEEAGLLRRQRQYFELQCRQYKRKMLLARHSLDQDLLREDLNKKQTQKDLECALLLRQHEATRELELRQLQAVQRTRAELTRLQHQTELGNQLEYNKRREQELRQKHAAQVRQQPKSLKVRAGQLPMGLPATGALGPLSTGTLSEEQPCSSGQEAILGQRMLGEEEEAVPERMILGKEGTTLEPEEQRILGEEMGTFSSSPQKHRSLVNEEDWDISKEMKESRVPSLASQERNIIGQEEAGAWNLWEKEHGNLVDMEFKLGWVQGPVLTPVPEEEEEEEEEGGAPIGTPRDPGDGCPSPDIPPEPPPSHLRQYPASQLPGFLSHGLLTGLSFAVGSSSGLLPLLLLLLLPLLAAQGGGGLQAALLALEVGLVGLGASYLFLCTALHLPPSLFLLLAQGTALGAVLSLSWRRGLMGVPLGLGAAWLLAWPSLALPLAAMAAGGKWVRQQGPQMRRGISRLWLRVLLRLSPMVFRALQGCAAVGDRGLFALYPKTNKNGFRSRLPVPWPRQGNPRTTQHPLALLARVWALCKGWNWRLARASHRLASCLPPWAVHILASWGLLKGERPSRIPRLLPRSQRRLGLSASRQLPPGTVAGRRSQTRRALPPWR
  
Inhibitor
Name:
BDBM50536352
Synonyms:
CHEMBL4561613
Type:
Small organic molecule
Emp. Form.:
C17H23BrN2O3S2
Mol. Mass.:
447.41
SMILES:
CN1C(NC(=O)CC2CCC(Br)CC2)Sc2cc(ccc12)S(C)(=O)=O |(19.7,-18.53,;20.86,-19.56,;20.7,-21.1,;19.36,-21.87,;18.02,-21.1,;18.02,-19.55,;16.69,-21.87,;16.69,-23.41,;15.36,-24.18,;15.35,-25.71,;16.68,-26.49,;16.68,-28.03,;18.02,-25.72,;18.03,-24.17,;22.11,-21.72,;23.14,-20.57,;24.68,-20.58,;25.46,-19.25,;24.68,-17.91,;23.14,-17.91,;22.38,-19.24,;27,-19.25,;27.76,-20.59,;27.39,-17.76,;28.49,-18.85,)|
Structure:
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