Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM223737 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.790±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 | ||
More Info.: | Get all data from this article, Assay Method | ||
E3 ubiquitin-protein ligase Mdm2 [17-125] | |||
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: |
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BDBM223737 | |||
n/a | |||
Name | BDBM223737 | ||
Synonyms: | 5-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(2r,3r)-2- methyl-3- phenylmorpholin-4- yl]-7h-purin-2-yl)- 1,3,4-oxadiazol- 2(3h)-one | US9540377, 11.166 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H42N8O3 | ||
Mol. Mass. | 586.7277 | ||
SMILES | C[C@@H](Nc1nc(nc2nc(N3CCO[C@H](C)[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1n[nH]c(=O)o1)C1CCC1 |r,wU:1.0,25.26,14.14,wD:28.30,16.17,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;6.48,3.78,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.93,-.93,;5.41,-1.32,;5.81,-2.81,;7.3,-3.21,;4.72,-3.9,;3.24,-3.5,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)| | ||
Structure |