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Target
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
Ligand
BDBM50378301
Substrate
n/a
Meas. Tech.
ChEMBL_589413 (CHEMBL1058434)
IC50
0.10±n/a nM
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 Lett 19:6613-7 (2009) [PubMed]  Article 
Target
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:
MSRRSSRLQAKQQPQPSQTESPQEAQIIQAKKRKTTQDVKKRREEVTKKHQYEIRNCWPPVLSGGISPCIIIETPHKEIGTSDFSRFTNYRFKNLFINPSPLPDLSWGCSKEVWLNMLKKESRYVHDKHFEVLHSDLEPQMRSILLDWLLEVCEVYTLHRETFYLAQDFFDRFMLTQKDINKNMLQLIGITSLFIASKLEEIYAPKLQEFAYVTDGACSEEDILRMELIILKALKWELCPVTIISWLNLFLQVDALKDAPKVLLPQYSQETFIQIAQLLDLCILAIDSLEFQYRILTAAALCHFTSIEVVKKASGLEWDSISECVDWMVPFVNVVKSTSPVKLKTFKKIPMEDRHNIQTHTNYLAMLEEVNYINTFRKGGQLSPVCNGGIMTPPKSTEKPPGKH
  
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:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
  
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:
MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQPWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
  
Inhibitor
Name:
BDBM50378301
Synonyms:
CHEMBL568311
Type:
Small organic molecule
Emp. Form.:
C26H33N7OS
Mol. Mass.:
491.652
SMILES:
COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)s1 |r,wU:18.18,wD:21.22,(17.8,-37.74,;17.03,-39.08,;17.81,-40.41,;17.05,-41.74,;17.82,-43.08,;19.35,-43.07,;20.12,-41.74,;19.34,-40.4,;21.66,-41.73,;22.43,-43.06,;23.94,-42.74,;24.09,-41.2,;25.42,-40.42,;26.76,-41.18,;26.77,-42.72,;25.44,-43.5,;25.44,-45.04,;24.11,-45.81,;24.12,-47.35,;25.45,-48.11,;25.45,-49.66,;24.12,-50.43,;24.12,-51.97,;22.78,-49.66,;22.78,-48.13,;26.78,-45.8,;28.12,-45.02,;29.58,-45.48,;30.47,-44.23,;29.56,-42.99,;28.1,-43.48,;30.07,-46.94,;29.05,-48.09,;31.58,-47.25,;22.68,-40.58,)|
Structure:
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