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Target
Cyclin-T1/Cyclin-dependent kinase 9 [L156F]
Ligand
BDBM642547
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay of CDK9 Protein Inhibition In Vitro
IC50
178±n/a nM
Citation
 LIU, Q; LIU, J; WU, Y; WANG, B; WANG, A; HU, C; LIU, Q; ZOU, F; WANG, W; WANG, Z; CAO, J; SHI, C; WANG, L DIHYDROISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AND USES THEREOF US Patent  US20230416221 Publication Date 12/28/2023 
Target
Name:
Cyclin-T1/Cyclin-dependent kinase 9 [L156F]
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 9 [L156F]
Synonyms:
Cyclin-dependent kinase 9 (L156F)
Type:
Protein
Mol. Mass.:
42823.15
Organism:
Human
Description:
P50750[L156F]
Residue:
372
Sequence:
MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVFITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF
  
Component 2
Name:
Cyclin-T1
Synonyms:
CycT | CycT1 | Cyclin T | Cyclin T1 | Cyclin-T | CCNT1_HUMAN | CCNT1
Type:
Enzyme Subunit
Mol. Mass.:
80712.40
Organism:
Human
Description:
n/a
Residue:
726
Sequence:
MEGERKNNNKRWYFTREQLENSPSRRFGVDPDKELSYRQQAANLLQDMGQRLNVSQLTINTAIVYMHRFYMIQSFTQFPGNSVAPAALFLAAKVEEQPKKLEHVIKVAHTCLHPQESLPDTRSEAYLQQVQDLVILESIILQTLGFELTIDHPHTHVVKCTQLVRASKDLAQTSYFMATNSLHLTTFSLQYTPPVVACVCIHLACKWSNWEIPVSTDGKHWWEYVDATVTLELLDELTHEFLQILEKTPNRLKRIWNWRACEAAKKTKADDRGTDEKTSEQTILNMISQSSSDTTIAGLMSMSTSTTSAVPSLPVSEESSSNLTSVEMLPGKRWLSSQPSFKLEPTQGHRTSENLALTGVDHSLPQDGSNAFISQKQNSKSVPSAKVSLKEYRAKHAEELAAQKRQLENMEANVKSQYAYAAQNLLSHHDSHSSVILKMPIEGSENPERPFLEKADKTALKMRIPVAGGDKAASSKPEEIKMRIKVHAAADKHNSVEDSVTKSREHKEKHKTHPSNHHHHHNHHSHKHSHSQLPVGTGNKRPGDPKHSSQTSNLAHKTYSLSSSFSSSSSTRKRGPSEETGGAVFDHPAKIAKSTKSSSLNFSFPSLPTMGQMPGHSSDTSGLSFSQPSCKTRVPHSKLDKGPTGANGHNTTQTIDYQDTVNMLHSLLSAQGVQPTQPTAFEFVRPYSDYLNPRSGGISSRSGNTDKPRPPPLPSEPPPPLPPLPK
  
Inhibitor
Name:
BDBM642547
Synonyms:
US20230416221, Compound 11
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COCCN[C@H]1CCC(CC1)Nc1nccc(n1)-c1ccc2C(=O)NCC(C)(C)c2c1 |r,wD:5.4,(4.5,-3.86,;4.1,-5.35,;2.62,-5.75,;1.53,-4.66,;.04,-5.06,;-1.05,-3.97,;-.65,-2.48,;-1.74,-1.39,;-3.23,-1.79,;-3.63,-3.28,;-2.54,-4.37,;-4.32,-.7,;-3.92,.78,;-5.01,1.87,;-4.61,3.36,;-3.12,3.76,;-2.03,2.67,;-2.43,1.18,;-.54,3.07,;-.15,4.56,;1.34,4.95,;2.43,3.86,;3.92,4.26,;4.32,5.75,;5.01,3.17,;4.61,1.69,;3.12,1.29,;2.03,.2,;3.52,-.2,;2.03,2.38,;.54,1.98,)|
Structure:
Search PDB for entries with ligand similarity: