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Target
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1
Ligand
BDBM601950
Substrate
n/a
Meas. Tech.
CDK Inhibition In Vitro Assay
IC50
75.0±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-dependent kinase 3/G1/S-specific cyclin-E1
Synonyms:
CDK3/Cyclin E | CDK3/E
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 3
Synonyms:
CDK3 | CDK3/Cyclin E | CDK3_HUMAN | CDKN3 | Cyclin-dependent kinase 3 | Cyclin-dependent kinase 3 (CDK3)
Type:
Enzyme
Mol. Mass.:
35053.88
Organism:
Homo sapiens (Human)
Description:
Q00526
Residue:
305
Sequence:
MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSSPEPSPAARQYVLQRFRH
  
Component 2
Name:
G1/S-specific cyclin-E1
Synonyms:
CCNE | CCNE1 | CCNE1_HUMAN
Type:
Enzyme Subunit
Mol. Mass.:
47073.17
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
410
Sequence:
MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQPWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
  
Inhibitor
Name:
BDBM601950
Synonyms:
7'-((4-(4-methylpiperazine-1- carbonyl)phenyl)amino)-1',2'- dihydro-3'H-spiro[cyclohexane-1,4'- pyrimido[5',4':4,5]pyrrolo[2,1- c][1,2,4]triazin]-3'-one | US11643416, Compound 52
Type:
Small organic molecule
Emp. Form.:
C25H30N8O2
Mol. Mass.:
474.5581
SMILES:
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Structure:
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