Reaction Details Report a problem with these data
Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM123436
Substrate
n/a
Meas. Tech.
In Vitro Kinase Assay
IC50
12000±n/a nM
Citation
 Chen, C; Chiu, H; Wang, D Anti-infective agents against intracellular pathogens US Patent  US8741944 Publication Date 6/3/2014 
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:
BDBM123436
Synonyms:
US8741944, 58
Type:
Small organic molecule
Emp. Form.:
C24H16F3N3O2S
Mol. Mass.:
467.463
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1c2ccccc2cc2ccccc12)C(F)(F)F |(10.71,-4.57,;9.62,-3.48,;11.1,-3.08,;9.22,-4.97,;8.53,-2.39,;8.93,-.91,;7.84,.18,;6.35,-.22,;5.95,-1.7,;7.04,-2.79,;5.45,1.03,;3.91,1.03,;3.43,2.49,;4.68,3.4,;5.92,2.49,;7.39,2.97,;7.78,4.46,;6.69,5.55,;7.09,7.03,;8.58,7.43,;9.67,6.34,;9.27,4.86,;10.36,3.77,;9.96,2.28,;11.05,1.19,;10.65,-.3,;9.16,-.69,;8.08,.39,;8.47,1.88,;1.96,2.97,;.82,1.94,;1.64,4.48,;.5,3.45,)|
Structure:
Search PDB for entries with ligand similarity: