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Target
Cyclin-T1/Cyclin-dependent kinase 9
Ligand
BDBM223954
Substrate
n/a
Meas. Tech.
LANCE ULight TR-FRET Kinase Assay
IC50
84±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:
BDBM223954
Synonyms:
US9328112, 176
Type:
Small Organic Molecule
Emp. Form.:
C29H31FN4O2
Mol. Mass.:
486.5804
SMILES:
CN1Cc2c([nH]c3nccc(-c4cc(F)ccc14)c23)C1=CCN(CC1)C1CCC(CC1)=C(C)C(O)=O |t:23,(5.05,-2.85,;4.4,-1.46,;2.86,-1.44,;1.91,-.23,;.38,-.35,;-.21,1.08,;.96,2.08,;1,3.62,;2.35,4.35,;3.66,3.55,;3.67,1.92,;5.04,1.24,;6.19,2.28,;7.65,1.8,;8.79,2.84,;7.98,.3,;6.84,-.74,;5.37,-.26,;2.27,1.27,;-.43,-1.66,;-1.97,-1.62,;-2.77,-2.93,;-2.04,-4.29,;-.5,-4.33,;.31,-3.01,;-2.84,-5.6,;-4.38,-5.56,;-5.19,-6.87,;-4.45,-8.23,;-2.91,-8.27,;-2.11,-6.95,;-5.26,-9.54,;-6.8,-9.5,;-4.52,-10.89,;-2.98,-10.93,;-5.33,-12.21,)|
Structure:
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