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Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM224176
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.4938±n/a nM
Comments
extracted
Citation
 Cammarano, CM; Christopher, MP; Dinsmore, C; Doll, RJ; Fradera Llinas, FX; Li, C; Machacek, M; Martinez, M; Nair, LG; Pan, W; Reutershan, MH; Shizuka, M; Steinhuebel, DP; Sun, B; Thompson, CF; Trotter, BW; Wang, Y; Yang, L; Bogen, SL; Voss, ME; Panda, J; Kurissery, AT 2,6,7,8 substituted purines as HDM2 inhibitors US Patent  US9540377 Publication Date 1/10/2017 
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:
BDBM224176
Synonyms:
5-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluorophenyl)morpho- lin-4-yl]-7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2-yl}- 1,3,4-oxadiazol- 2(3h)-one | US9540377, 16.95
Type:
Small organic molecule
Emp. Form.:
C30H30ClFN8O3
Mol. Mass.:
605.062
SMILES:
C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)|
Structure:
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