Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM326321
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
72.0±n/a nM
Citation
 Dinsmore, C; Fradera Llinas, FX; Kudale, AA; Machacek, M; Reutershan, MH; Thompson, CF; Trotter, BW; Yang, L; Altman, MD; Bogen, SL; Doll, RJ; Voss, ME Substituted pyrrolopyrimidines as HDM2 inhibitors US Patent  US9637493 Publication Date 5/2/2017 
Target
Name:
E3 ubiquitin-protein ligase Mdm2 [17-125]
Synonyms:
Double minute 2 protein | E3 ubiquitin-protein ligase Mdm2 | MDM2 | MDM2_HUMAN | p53-binding protein Mdm2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12522.24
Organism:
Homo sapiens (Human)
Description:
Residue 17 to 125
Residue:
109
Sequence:
SQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSEN
  
Inhibitor
Name:
BDBM326321
Synonyms:
4-(5-chloropyridin-3-yl)-5- [(trans-4- methylcyclohexyl)methyl]- 7-phenyl-5H-pyrrolo[3,2- d]pyrimidine-2-carboxylic acid | US9637493, 5.5
Type:
Small organic molecule
Emp. Form.:
C26H25ClN4O2
Mol. Mass.:
460.955
SMILES:
C[C@H]1CC[C@H](Cn2cc(-c3ccccc3)c3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)CC1 |r,wU:4.4,wD:1.0,(6.07,-5.64,;4.73,-4.87,;4.73,-3.33,;3.4,-2.56,;2.07,-3.33,;.73,-2.56,;.73,-1.02,;1.64,.23,;.73,1.47,;1.13,2.96,;2.62,3.36,;3.02,4.85,;1.93,5.93,;.44,5.54,;.04,4.05,;-.73,1,;-2.07,1.77,;-3.4,1,;-3.4,-.54,;-2.07,-1.31,;-2.07,-2.85,;-.73,-3.62,;-.73,-5.16,;-2.07,-5.93,;-3.4,-5.16,;-4.73,-5.93,;-3.4,-3.62,;-.73,-.54,;-4.73,1.77,;-6.07,1,;-4.73,3.31,;2.07,-4.87,;3.4,-5.64,)|
Structure:
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