Reaction Details 
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Report a problem with these dataTarget
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM224851
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.563±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 1/10/2017More Info.:
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:
BDBM224851
Synonyms:
3-(6-{[(1r)-1- cyclobutylethyl]amino}-8-[1- fluoro-1-(2- fluorophenyl)ethyl]-7-[(trans- 4-methylcyclohexyl)methyl]- 7h-purin-2-yl)-1,2,4- oxadiazol-5(4h)-one (diastereomer 1) | US9540377, 22.62 | US9540377, 22.65
Type:
Small organic molecule
Emp. Form.:
C29H35F2N7O2
Mol. Mass.:
551.6307
SMILES:
C[C@@H](Nc1nc(nc2nc(n(C[C@H]3CC[C@H](C)CC3)c12)C(C)(F)c1ccccc1F)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,15.15,wD:12.11,(-4.72,-1.82,;-3.39,-2.59,;-2.05,-1.82,;-2.05,-.28,;-3.39,.49,;-3.39,2.03,;-2.05,2.8,;-.72,2.03,;.74,2.51,;1.65,1.26,;.74,.02,;1.14,-1.47,;2.63,-1.87,;3.03,-3.36,;4.52,-3.76,;5.6,-2.67,;7.09,-3.07,;5.21,-1.18,;3.72,-.78,;-.72,.49,;3.19,1.26,;4.52,.49,;3.19,-.28,;3.96,2.6,;5.5,2.6,;6.27,3.93,;5.5,5.26,;3.96,5.26,;3.19,3.93,;1.65,3.93,;-4.72,2.8,;-6.19,2.33,;-7.09,3.57,;-6.19,4.82,;-6.59,6.31,;-4.72,4.34,;-3.39,-4.13,;-4.48,-5.22,;-3.39,-6.31,;-2.3,-5.22,)|
Structure:
