| Reaction Details |
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 | Report a problem with these data |
| Target | Cyclin-dependent kinase 3/G1/S-specific cyclin-E1 |
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| Ligand | BDBM601933 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | CDK Inhibition In Vitro Assay |
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| IC50 | 0.940±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Cyclin-dependent kinase 3/G1/S-specific cyclin-E1 |
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| Name: | Cyclin-dependent kinase 3/G1/S-specific cyclin-E1 |
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| Synonyms: | CDK3/Cyclin E | CDK3/E |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Cyclin-dependent kinase 3 |
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| Synonyms: | CDK3 | CDK3/Cyclin E | CDK3_HUMAN | CDKN3 | Cyclin-dependent kinase 3 | Cyclin-dependent kinase 3 (CDK3) |
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| Type: | Enzyme |
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| Mol. Mass.: | 35053.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q00526 |
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| Residue: | 305 |
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| Sequence: | MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKH
PNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHS
HRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFY
TTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSF
PKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSSPEPSPAARQYVL
QRFRH
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| Component 2 |
| Name: | G1/S-specific cyclin-E1 |
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| Synonyms: | CCNE | CCNE1 | CCNE1_HUMAN |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 47073.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 410 |
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| Sequence: | MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
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| BDBM601933 |
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| n/a |
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| Name | BDBM601933 |
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| Synonyms: | 4-((6'-hydroxy-8'-oxo-7',8'-dihydro-6'H- spiro[cyclohexane-1,9'- pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]- 2'-yl)amino)benzenesulfonamide | US11643416, Compound 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N6O4S |
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| Mol. Mass. | 442.491 |
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| SMILES | NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1 |
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| Structure | 
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