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Target
Cyclin-T1/Cyclin-dependent kinase 9 [L156F]
Ligand
BDBM642576
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay of CDK9 Protein Inhibition In Vitro
IC50
98.6±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:
BDBM642576
Synonyms:
US20230416221, Compound 14
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)C)(C(C)C)c2c1 |r,wD:5.4,(6,-5.78,;4.67,-5,;3.33,-5.78,;2,-5,;.67,-5.78,;-.67,-5,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-3.33,-5,;-2,-5.78,;-4.67,-2.69,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-4.67,1.93,;-3.33,1.15,;-3.33,-.38,;-2,1.93,;-2,3.47,;-.67,4.23,;.67,3.47,;2,4.23,;2,5.78,;3.33,3.47,;3.33,1.93,;2,1.15,;2,-.38,;3.33,-1.15,;.67,-1.15,;3.33,.38,;4.67,1.15,;4.1,-.95,;.67,1.93,;-.67,1.15,)|
Structure:
Search PDB for entries with ligand similarity: