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Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223046
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.2019±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:
BDBM223046
Synonyms:
6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purine-2- carboxylic acid | US9540377, 11.10
Type:
Small organic molecule
Emp. Form.:
C30H40N6O3
Mol. Mass.:
532.677
SMILES:
C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)|
Structure:
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