Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223703
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.7883±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:
BDBM223703
Synonyms:
3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[(3r,5r)-3,5- dimethylmorpholin- 4-yl]-7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2- yl)-1,2,4-oxadiazol- 5(4h)-one | US9540377, 11.129
Type:
Small organic molecule
Emp. Form.:
C27H40N8O3
Mol. Mass.:
524.6583
SMILES:
C[C@@H](Nc1nc(nc2nc(N3[C@H](C)COC[C@H]3C)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:20.20,1.0,11.11,wD:23.24,16.17,(-4.39,-1.47,;-3.06,-2.24,;-1.72,-1.47,;-1.72,.07,;-3.06,.84,;-3.06,2.38,;-1.72,3.15,;-.39,2.38,;1.07,2.86,;1.98,1.61,;3.34,1.61,;4.11,.28,;3.34,-1.05,;5.65,.28,;6.42,1.61,;5.65,2.95,;4.11,2.95,;3.34,4.28,;1.07,.37,;1.84,-.96,;3.18,-1.73,;4.51,-.96,;5.84,-1.73,;5.84,-3.27,;7.18,-4.04,;4.51,-4.04,;3.18,-3.27,;-.39,.84,;-4.39,3.15,;-5.64,2.25,;-6.88,3.15,;-6.41,4.62,;-7.18,5.95,;-4.87,4.62,;-3.06,-3.78,;-4.15,-4.86,;-3.06,-5.95,;-1.97,-4.86,)|
Structure:
Search PDB for entries with ligand similarity: