Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
Ligand
BDBM50317173
Substrate
n/a
Meas. Tech.
ChEMBL_631113 (CHEMBL1103822)
IC50
8.7±n/a nM
Citation
 Choi, SJ; Lee, JE; Jeong, SY; Im, I; Lee, SD; Lee, EJ; Lee, SK; Kwon, SM; Ahn, SG; Yoon, JH; Han, SY; Kim, JI; Kim, YC 5,5'-substituted indirubin-3'-oxime derivatives as potent cyclin-dependent kinase inhibitors with anticancer activity. J Med Chem 53:3696-706 (2010) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
Synonyms:
CDK2/CycE | CDK2/Cyclin E | CDK2/E | CDK2/E1 | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 | Cyclin-dependent kinase 2/cyclin E1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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 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:
BDBM50317173
Synonyms:
(2'Z,3'E)-5-Nitro-5'-methyl-indirubin-3'-oxime | CHEMBL1086701
Type:
Small organic molecule
Emp. Form.:
C17H12N4O4
Mol. Mass.:
336.3016
SMILES:
Cc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(23.35,-22.07,;24.68,-22.84,;24.68,-24.38,;26.01,-25.15,;27.35,-24.38,;28.82,-24.86,;29.73,-23.61,;28.82,-22.35,;29.3,-20.89,;30.8,-20.57,;27.34,-22.83,;26.01,-22.07,;31.27,-23.61,;32.17,-22.36,;31.85,-20.86,;32.98,-19.83,;34.46,-20.3,;34.78,-21.81,;33.64,-22.84,;33.64,-24.38,;32.18,-24.85,;31.7,-26.32,;32.66,-18.33,;33.79,-17.29,;31.19,-17.86,)|
Structure:
Search PDB for entries with ligand similarity: