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Target
Cyclin-T1/Cyclin-dependent kinase 9
Ligand
BDBM223876
Substrate
n/a
Meas. Tech.
LANCE ULight TR-FRET Kinase Assay
IC50
73±n/a nM
Citation
 Frey, R; Gong, J; Ji, Z; Lai, C; Penning, T; Song, X; Souers, A; Tong, Y; Zhu, G Tetracyclic CDK9 kinase inhibitors US Patent  US9328112 Publication Date 5/3/2016 
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:
BDBM223876
Synonyms:
US9328112, 98
Type:
Small Organic Molecule
Emp. Form.:
C29H32FN5O2
Mol. Mass.:
501.5951
SMILES:
CN(C1CC(O)C1)C(=O)CN1[C@H]2CC[C@@H]1C=C(C2)c1[nH]c2nccc3-c4cc(F)ccc4N(C)Cc1c23 |wU:14.15,wD:11.11,c:17,THB:18:16:10:12.13,(5.93,-9.21,;6.94,-8.05,;8.45,-8.35,;9.73,-7.49,;10.59,-8.77,;12.1,-9.06,;9.31,-9.62,;6.44,-6.59,;7.46,-5.43,;4.93,-6.29,;4.43,-4.84,;4.49,-3.3,;5.72,-2.2,;4.44,-2.65,;3.58,-3.82,;1.88,-3.49,;1.94,-1.94,;2.72,-2.92,;1.46,-.48,;;,1.54,;-1.14,2.57,;-.82,4.08,;.64,4.55,;1.87,3.5,;3.29,4.11,;3.24,5.64,;4.55,6.45,;4.51,7.99,;5.91,5.72,;5.96,4.19,;4.65,3.38,;4.92,1.86,;6.41,1.45,;3.91,.7,;2.37,.77,;1.46,2.02,)|
Structure:
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