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Target
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
Ligand
BDBM50378318
Substrate
n/a
Meas. Tech.
ChEMBL_589413 (CHEMBL1058434)
IC50
0.40±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:
BDBM50378318
Synonyms:
CHEMBL566539
Type:
Small organic molecule
Emp. Form.:
C24H30N8S
Mol. Mass.:
462.614
SMILES:
CC(C)n1cnc2c(NCc3csc(n3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(14.52,-15.85,;15.54,-14.7,;17.05,-15.01,;15.05,-13.24,;15.94,-11.99,;15.03,-10.76,;13.57,-11.24,;12.24,-10.49,;12.23,-8.95,;10.89,-8.18,;9.57,-8.96,;8.16,-8.35,;7.13,-9.5,;7.91,-10.83,;9.42,-10.5,;7.16,-12.16,;5.62,-12.18,;4.86,-13.52,;5.65,-14.85,;7.2,-14.82,;7.95,-13.48,;10.91,-11.26,;10.92,-12.8,;9.59,-13.57,;9.59,-15.11,;10.92,-15.87,;10.92,-17.42,;9.59,-18.19,;9.59,-19.73,;8.26,-17.42,;8.25,-15.89,;12.25,-13.56,;13.59,-12.78,)|
Structure:
Search PDB for entries with ligand similarity: