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Target
Cyclin-T1/Cyclin-dependent kinase 9
Ligand
BDBM50553483
Substrate
n/a
Meas. Tech.
ChEMBL_2210421 (CHEMBL5123370)
IC50
3.0±n/a nM
Citation
 Shi, Z; Tian, L; Qiang, T; Li, J; Xing, Y; Ren, X; Liu, C; Liang, C From Structure Modification to Drug Launch: A Systematic Review of the Ongoing Development of Cyclin-Dependent Kinase Inhibitors for Multiple Cancer Therapy. J Med Chem 65:6390-6418 (2022) [PubMed] 
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:
BDBM50553483
Synonyms:
CHEMBL4756595 | US20230416221, Compound BAY1251152
Type:
Small organic molecule
Emp. Form.:
C19H18F2N4O2S
Mol. Mass.:
404.434
SMILES:
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F
Structure:
Search PDB for entries with ligand similarity: