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Target
Cyclin-T1/Cyclin-dependent kinase 9
Ligand
BDBM601937
Substrate
n/a
Meas. Tech.
CDK Inhibition In Vitro Assay
IC50
180±n/a nM
Citation
 Strum, JC Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors US Patent  US11643416 Publication Date 5/9/2023 
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:
BDBM601937
Synonyms:
4-((1'-methyl-3'-oxo-2',3'-dihydro-1'H- spiro[cyclohexane-1,4'- pyrimido[5',4':4,5]pyrrolo[2,1- c][1,2,4]triazin]-7'- yl)amino)benzenesulfonamide | US11643416, Compound 12
Type:
Small organic molecule
Emp. Form.:
C20H23N7O3S
Mol. Mass.:
441.507
SMILES:
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
Structure:
Search PDB for entries with ligand similarity: