Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM326329
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
2.00±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:
BDBM326329
Synonyms:
3-{4-(5-chloropyridin-3- yl)-6-[fluoro(2- fluorophenyl)methyl]-5- [(trans-4- methylcyclohexyl)methyl]- 5H-pyrrolo[3,2- d]pyrimidin-2-yl}-1,2,4- oxadiazol-5(4H)-one (racemate) | US9637493, 8.2
Type:
Small organic molecule
Emp. Form.:
C28H25ClF2N6O2
Mol. Mass.:
550.987
SMILES:
C[C@H]1CC[C@H](Cn2c(cc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.36,-5.23,;5.02,-4.46,;5.02,-2.92,;3.69,-2.15,;2.36,-2.92,;1.02,-2.15,;1.02,-.61,;1.93,.64,;1.02,1.88,;-.44,1.41,;-1.78,2.18,;-3.11,1.41,;-3.11,-.13,;-1.78,-.9,;-1.78,-2.44,;-.44,-3.21,;-.44,-4.75,;-1.78,-5.52,;-3.11,-4.75,;-4.44,-5.52,;-3.11,-3.21,;-.44,-.13,;-4.44,2.18,;-5.91,1.7,;-6.81,2.95,;-5.91,4.19,;-6.68,5.52,;-4.44,3.72,;3.47,.64,;4.24,-.7,;4.24,1.97,;3.84,3.46,;4.93,4.55,;6.41,4.15,;6.81,2.66,;5.72,1.57,;6.12,.08,;2.36,-4.46,;3.69,-5.23,)|
Structure:
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