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Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM105292
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
5±0.0 nM
Citation
 Engelhardt, H; Kofink, C; McConnell, D Chemical compounds US Patent  US8575203 Publication Date 11/5/2013 
Target
Name:
3-phosphoinositide-dependent protein kinase 1
Synonyms:
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) | 3-phosphoinositide dependent protein kinase-1 | 3-phosphoinositide-dependent protein kinase 1 | 3-phosphoinositide-dependent protein kinase 1 (PDK) | 3-phosphoinositide-dependent protein kinase 1 (PDK-1) | 3-phosphoinositide-dependent protein kinase 1 (PDK1)(Δ1-50) | Isoform 2 of 3-phosphoinositide-dependent protein kinase 1 | PDK1 | PDPK1 | PDPK1_HUMAN | Phosphoinositide-dependent protein kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1) | hPDK1
Type:
Enzyme
Mol. Mass.:
63157.65
Organism:
Homo sapiens (Human)
Description:
O15530
Residue:
556
Sequence:
MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPAMDGTAAEPRPGAGSLQHAQPPPQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLTAYLPAMSEDDEDCYGNYDNLLSQFGCMQVSSSSSSHSLSASDTGLPQRSGSNIEQYIHDLDSNSFELDLQFSEDEKRLLLEKQAGGNPWHQFVENNLILKMGPVDKRKGLFARRRQLLLTEGPHLYYVDPVNKVLKGEIPWSQELRPEAKNFKTFFVHTPNRTYYLMDPSGNAHKWCRKIQEVWRQRYQSHPDAAVQ
  
Inhibitor
Name:
BDBM105292
Synonyms:
US8575203, I-59
Type:
Small organic molecule
Emp. Form.:
C35H38N6O4
Mol. Mass.:
606.714
SMILES:
OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)nc3c2)c1=O |r,wU:2.9,28.28,wD:31.35,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
Structure:
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