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Target
Cyclin-T1/Cyclin-dependent kinase 9
Ligand
BDBM605592
Substrate
n/a
Meas. Tech.
CDK4/CyclinD1 Enzymatic Activity Assay
IC50
0.961±n/a nM
Citation
 Lu, L; Shetty, R; Combs, AP; Dai, C; Leal, RA; Bersch, KL CDK inhibitors and their use as pharmaceuticals US Patent  US11673893 Publication Date 6/13/2023 
Target
Name:
Cyclin-T1/Cyclin-dependent kinase 9
Synonyms:
CDK9/ Cyclin-T1 | CDK9/CycT1 | CDK9/Cyclin T | CDK9/Cyclin T1 | Cyclin T1/dependent kinase 9 | Cyclin-Dependent Kinase 9 (CDK9)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-T1
Synonyms:
CCNT1 | CCNT1_HUMAN | CycT | CycT1 | Cyclin T | Cyclin T1 | Cyclin-T
Type:
Enzyme Subunit
Mol. Mass.:
80712.40
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
726
Sequence:
MEGERKNNNKRWYFTREQLENSPSRRFGVDPDKELSYRQQAANLLQDMGQRLNVSQLTINTAIVYMHRFYMIQSFTQFPGNSVAPAALFLAAKVEEQPKKLEHVIKVAHTCLHPQESLPDTRSEAYLQQVQDLVILESIILQTLGFELTIDHPHTHVVKCTQLVRASKDLAQTSYFMATNSLHLTTFSLQYTPPVVACVCIHLACKWSNWEIPVSTDGKHWWEYVDATVTLELLDELTHEFLQILEKTPNRLKRIWNWRACEAAKKTKADDRGTDEKTSEQTILNMISQSSSDTTIAGLMSMSTSTTSAVPSLPVSEESSSNLTSVEMLPGKRWLSSQPSFKLEPTQGHRTSENLALTGVDHSLPQDGSNAFISQKQNSKSVPSAKVSLKEYRAKHAEELAAQKRQLENMEANVKSQYAYAAQNLLSHHDSHSSVILKMPIEGSENPERPFLEKADKTALKMRIPVAGGDKAASSKPEEIKMRIKVHAAADKHNSVEDSVTKSREHKEKHKTHPSNHHHHHNHHSHKHSHSQLPVGTGNKRPGDPKHSSQTSNLAHKTYSLSSSFSSSSSTRKRGPSEETGGAVFDHPAKIAKSTKSSSLNFSFPSLPTMGQMPGHSSDTSGLSFSQPSCKTRVPHSKLDKGPTGANGHNTTQTIDYQDTVNMLHSLLSAQGVQPTQPTAFEFVRPYSDYLNPRSGGISSRSGNTDKPRPPPLPSEPPPPLPPLPK
  
Component 2
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:
BDBM605592
Synonyms:
US11673893, Example 62
Type:
Small organic molecule
Emp. Form.:
C29H36FN5O3
Mol. Mass.:
521.6262
SMILES:
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1C |r,wD:20.21,24.28,29.31,31.34,(-1.26,4.59,;-2.29,3.44,;-1.82,1.98,;-3.8,3.76,;-4.43,5.17,;-3.66,6.51,;-5.96,5.01,;-6.28,3.5,;-7.61,2.73,;-8.95,3.5,;-7.61,1.19,;-6.28,.42,;-4.94,1.19,;-4.94,2.73,;-6.28,-1.12,;-4.94,-1.89,;-4.94,-3.43,;-3.61,-4.2,;-2.28,-3.43,;-2.28,-1.89,;-.94,-4.2,;-.94,-5.74,;.39,-6.51,;1.72,-5.74,;1.72,-4.2,;.39,-3.43,;3.06,-3.43,;4.39,-4.2,;4.39,-5.74,;5.73,-3.43,;6.12,-1.94,;7.61,-2.34,;8.95,-1.57,;7.21,-3.82,;-6.28,-4.2,;-7.61,-3.43,;-7.66,-1.86,;-8.99,-1.09,)|
Structure:
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