Reaction Details Report a problem with these data
Target
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]
Ligand
BDBM236411
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
IC50
0.121±n/a nM
Comments
extracted
Citation
 Cotesta, S; Furet, P; Guagnano, V; Holzer, P; Kallen, J; Mah, R; Masuya, K; Schlapbach, A; Stutz, S; Vaupel, A Pyrrolopyrrolidinone compounds US Patent  US9365576 Publication Date 6/14/2016 
Target
Name:
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]
Synonyms:
p53-MDM2
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cellular tumor antigen p53 [18-26]
Synonyms:
P53 | P53_HUMAN | TP53 | Tumor suppressor p53
Type:
Protein
Mol. Mass.:
1122.31
Organism:
Homo sapiens (Human)
Description:
aa 18-26
Residue:
9
Sequence:
TFSDLWKLL
  
Component 2
Name:
E3 ubiquitin-protein ligase Mdm2 [2-188]
Synonyms:
E3 ubiquitin-protein ligase Mdm2 | MDM2 | MDM2_HUMAN
Type:
Protein
Mol. Mass.:
21187.98
Organism:
Homo sapiens (Human)
Description:
aa 2-188
Residue:
187
Sequence:
CNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDS
  
Inhibitor
Name:
BDBM236411
Synonyms:
US9365576, 164
Type:
Small organic molecule
Emp. Form.:
C29H27Cl2N7O3
Mol. Mass.:
592.476
SMILES:
COc1nc(ncc1-c1c(C#N)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C |(4.29,5.6,;3.52,4.26,;4.29,2.93,;5.83,2.93,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;1.85,4.18,;2.62,5.51,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;2.97,-1.53,;.39,-2.22,;-2.25,-1.14,;-3.74,-1.53,;-4.13,-3.02,;-3.05,-4.11,;-3.44,-5.6,;-1.56,-3.71,;-1.16,-2.22,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,4.26,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-7.37,-1.07,;-5.06,.26,;8.14,1.6,;8.91,.26,;8.91,2.93,)|
Structure:
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