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Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223705
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.3439±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:
BDBM223705
Synonyms:
3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8- (hexahydrocyclopenta [b][1,4]oxazin- 4(4ah)-yl)-7-[(trans- 4- methylcyclohexyl) methyl]-7h-purin-2- yl)-1,2,4-oxadiazol- 5(2h)-one (diastereomer 1) | US9540377, 11.131 | US9540377, 11.133 | US9540377, 11.148 | US9540377, 11.149
Type:
Small organic molecule
Emp. Form.:
C28H40N8O3
Mol. Mass.:
536.669
SMILES:
C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.22,wD:24.26,(-4.51,-1.47,;-3.18,-2.24,;-1.85,-1.47,;-1.85,.07,;-3.18,.84,;-3.18,2.38,;-1.85,3.15,;-.51,2.38,;.95,2.86,;1.86,1.61,;3.4,1.61,;4.17,.28,;5.71,.28,;6.48,1.61,;5.71,2.95,;6.18,4.41,;4.94,5.32,;3.69,4.41,;4.17,2.95,;.95,.37,;1.35,-1.12,;2.84,-1.52,;3.93,-.43,;5.41,-.83,;5.81,-2.31,;7.3,-2.71,;4.72,-3.4,;3.24,-3,;-.51,.84,;-4.51,3.15,;-5.76,2.25,;-7.01,3.15,;-6.53,4.62,;-7.3,5.95,;-4.99,4.62,;-3.18,-3.78,;-4.27,-4.86,;-3.18,-5.95,;-2.09,-4.86,)|
Structure:
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