Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223669
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.791±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:
BDBM223669
Synonyms:
3-[6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-(octahydro- 4h-1,4-benzoxazin- 4-yl)-7h-purin-2-yl]- 1,2,4-oxadiazol- 5(4h)-one (diastereomer 1) | US9540377, 11.95 | US9540377, 11.96
Type:
Small organic molecule
Emp. Form.:
C29H42N8O3
Mol. Mass.:
550.6956
SMILES:
C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:22.23,1.0,wD:25.27,(-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-1.44,.07,;-2.77,.84,;-2.77,2.38,;-1.44,3.15,;-.1,2.38,;1.36,2.86,;2.27,1.61,;3.81,1.61,;4.58,.28,;6.12,.28,;6.89,1.61,;6.12,2.95,;6.89,4.28,;6.12,5.62,;4.58,5.62,;3.81,4.28,;4.58,2.95,;1.36,.37,;1.36,-1.17,;2.7,-1.94,;4.03,-1.17,;5.36,-1.94,;5.36,-3.48,;6.7,-4.25,;4.03,-4.25,;2.7,-3.48,;-.1,.84,;-4.1,3.15,;-5.35,2.25,;-6.59,3.15,;-6.12,4.62,;-6.89,5.95,;-4.58,4.62,;-2.77,-3.78,;-3.86,-4.86,;-2.77,-5.95,;-1.68,-4.86,)|
Structure:
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