Reaction Details Report a problem with these data
Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM105295
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
2±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:
BDBM105295
Synonyms:
US8575203, I-62
Type:
Small organic molecule
Emp. Form.:
C37H40F2N8O2
Mol. Mass.:
666.7627
SMILES:
Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(9.34,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;4,6.16,;2.67,5.39,;1.33,6.16,;1.33,7.7,;,5.39,;-1.33,6.16,;-2.67,5.39,;-4,4.62,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-9.34,1.54,;-9.34,,;-8,-.77,;-8,-2.31,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-2.67,-5.39,;-2.67,-6.93,;-1.33,-7.7,;,-6.93,;1.33,-7.7,;2.67,-6.93,;4.21,-6.93,;3.44,-5.6,;,-5.39,;-1.33,-4.62,;-6.67,,;-6.67,1.54,;-5.33,2.31,;2.67,3.85,;1.33,3.08,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,)|
Structure:
Search PDB for entries with ligand similarity: