Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 9
Ligand
BDBM454543
Substrate
n/a
Meas. Tech.
Kinase Assay (ATP Concentration at Km)
IC50
<3.00±n/a nM
Citation
 Barlaam, B; De Savi, C; Hawkins, J; Hird, A; Lamb, M; Pike, K; Vasbinder, M Chemical compounds US Patent  US10717746 Publication Date 7/21/2020 
Target
Name:
Cyclin-dependent kinase 9
Synonyms:
C-2K | CDC2L4 | CDK9 | CDK9_HUMAN | Cell division cycle 2-like protein kinase 4 | Cell division protein kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) | Cyclin-dependent kinase 9 (CDK9) | Serine/threonine-protein kinase PITALRE | TAK | Tat-associated kinase complex catalytic subunit
Type:
Enzyme Subunit
Mol. Mass.:
42789.13
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
372
Sequence:
MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF
  
Inhibitor
Name:
BDBM454543
Synonyms:
US10717746, Example 26
Type:
Small organic molecule
Emp. Form.:
C18H22N4O2
Mol. Mass.:
326.3929
SMILES:
CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@@H]2C[C@H](O)C2)c1 |r,wD:18.19,20.22,(.99,4.74,;-.35,3.97,;.99,3.2,;-.82,2.51,;-2.36,2.51,;-3.61,1.6,;-4.86,2.51,;-4.38,3.97,;-2.84,3.97,;-1.59,4.88,;-3.61,.06,;-4.94,-.71,;-4.94,-2.25,;-3.61,-3.02,;-2.28,-2.25,;-.94,-3.02,;.39,-2.25,;.39,-.71,;1.72,-3.02,;3.21,-2.62,;3.61,-4.11,;4.94,-4.88,;2.12,-4.51,;-2.28,-.71,)|
Structure:
Search PDB for entries with ligand similarity: