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Target
Cyclin-dependent kinase 9
Ligand
BDBM180827
Substrate
n/a
Meas. Tech.
CDK9/CycT1
pH
8±n/a
Temperature
295.15±n/a K
IC50
1±n/a nM
Comments
extracted
Citation
 Lücking, U; Kosemund, D; Scholz, A; Lienau, P; Siemeister, G; Bömer, U; Bohlmann, R Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group US Patent  US9133171 Publication Date 9/15/2015 
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:
BDBM180827
Synonyms:
US9133171, 32
Type:
Small organic molecule
Emp. Form.:
C21H19F2N5O3S
Mol. Mass.:
459.469
SMILES:
COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Structure:
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