Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM326324
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
35.0±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:
BDBM326324
Synonyms:
3-[4-(5-chloropyridin-3- yl)-5-[(trans-4- methylcyclohexyl)methyl]- 7-(2-methylpropyl)-5H- pyrrolo[3,2-d]pyrimidin-2- yl]-1,2,4-oxadiazol-5(4H)- one | US9637493, 5.8
Type:
Small organic molecule
Emp. Form.:
C25H29ClN6O2
Mol. Mass.:
480.99
SMILES:
CC(C)Cc1cn(C[C@H]2CC[C@H](C)CC2)c2c(nc(nc12)-c1noc(=O)[nH]1)-c1cncc(Cl)c1 |r,wU:8.7,wD:11.11,(3.54,5.25,;3.14,3.77,;4.23,2.68,;1.65,3.37,;1.25,1.88,;2.16,.64,;1.25,-.61,;1.25,-2.15,;2.58,-2.92,;3.92,-2.15,;5.25,-2.92,;5.25,-4.46,;6.59,-5.23,;3.92,-5.23,;2.58,-4.46,;-.21,-.13,;-1.55,-.9,;-2.88,-.13,;-2.88,1.41,;-1.55,2.18,;-.21,1.41,;-4.22,2.18,;-5.68,1.7,;-6.59,2.95,;-5.68,4.19,;-6.45,5.52,;-4.22,3.72,;-1.55,-2.44,;-.21,-3.21,;-.21,-4.75,;-1.55,-5.52,;-2.88,-4.75,;-4.22,-5.52,;-2.88,-3.21,)|
Structure:
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