Reaction Details |
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Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 |
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Ligand | BDBM7533 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_589413 (CHEMBL1058434) |
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IC50 | 0.52±n/a nM |
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Citation | Trova, MP; Barnes, KD; Alicea, L; Benanti, T; Bielaska, M; Bilotta, J; Bliss, B; Duong, TN; Haydar, S; Herr, RJ; Hui, Y; Johnson, M; Lehman, JM; Peace, D; Rainka, M; Snider, P; Salamone, S; Tregay, S; Zheng, X; Friedrich, TD Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. Bioorg Med Chem Lett19:6613-7 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 |
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Name: | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 |
Synonyms: | CDK2/Cyclin E/G1/S-specific cyclin E2 | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 /G1/S-specific cyclin E2 | Cyclin-dependent kinase 2/cyclin E |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 52510 |
Components: | This complex has 3 components. |
Component 1 |
Name: | G1/S-specific cyclin-E2 |
Synonyms: | CCNE2 | CCNE2_HUMAN | CDK3/cyclin E | G1/S-specific cyclin-E2 |
Type: | PROTEIN |
Mol. Mass.: | 46763.82 |
Organism: | Homo sapiens (Human) |
Description: | EBI_10135 |
Residue: | 404 |
Sequence: | MSRRSSRLQAKQQPQPSQTESPQEAQIIQAKKRKTTQDVKKRREEVTKKHQYEIRNCWPP
VLSGGISPCIIIETPHKEIGTSDFSRFTNYRFKNLFINPSPLPDLSWGCSKEVWLNMLKK
ESRYVHDKHFEVLHSDLEPQMRSILLDWLLEVCEVYTLHRETFYLAQDFFDRFMLTQKDI
NKNMLQLIGITSLFIASKLEEIYAPKLQEFAYVTDGACSEEDILRMELIILKALKWELCP
VTIISWLNLFLQVDALKDAPKVLLPQYSQETFIQIAQLLDLCILAIDSLEFQYRILTAAA
LCHFTSIEVVKKASGLEWDSISECVDWMVPFVNVVKSTSPVKLKTFKKIPMEDRHNIQTH
TNYLAMLEEVNYINTFRKGGQLSPVCNGGIMTPPKSTEKPPGKH
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Component 2 |
Name: | Cyclin-dependent kinase 2 |
Synonyms: | CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase |
Type: | Enzyme Subunit |
Mol. Mass.: | 33938.17 |
Organism: | Homo sapiens (Human) |
Description: | P24941 |
Residue: | 298 |
Sequence: | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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Component 3 |
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: | MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
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BDBM7533 |
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n/a |
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Name | BDBM7533 |
Synonyms: | (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol | (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol | (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol | (R)-Roscovitine | 2,6,9-Trisubstituted purine deriv. 28 | CHEMBL14762 | CYC-202 | Roscovitine | cid_160355 |
Type | Small organic molecule |
Emp. Form. | C19H26N6O |
Mol. Mass. | 354.4493 |
SMILES | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| |
Structure |
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