Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM223756 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.5847±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: |
| ||
BDBM223756 | |||
n/a | |||
Name | BDBM223756 | ||
Synonyms: | 6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl)methyl]- n-(methylsulfonyl)-8- [(3r)-3-phenylmorpholin- 4-yl]-7h-purine-2- carboxamide | US9540377, 12.18 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H43N7O4S | ||
Mol. Mass. | 609.783 | ||
SMILES | C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(=O)NS(C)(=O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-3.91,-1.96,;-2.57,-2.73,;-1.24,-1.96,;-1.24,-.42,;-2.57,.35,;-2.57,1.89,;-1.24,2.66,;.09,1.89,;1.56,2.36,;2.46,1.12,;4,1.12,;4.77,-.22,;6.31,-.22,;7.08,1.12,;6.31,2.45,;4.77,2.45,;4,3.78,;4.77,5.12,;4,6.45,;2.46,6.45,;1.69,5.12,;2.46,3.78,;1.56,-.13,;1.96,-1.62,;3.45,-2.02,;3.84,-3.5,;5.33,-3.9,;6.42,-2.81,;7.91,-3.21,;6.02,-1.32,;4.53,-.93,;.09,.35,;-3.91,2.66,;-3.91,4.2,;-5.24,1.89,;-6.57,2.66,;-7.91,1.89,;-7.34,3.99,;-5.8,3.99,;-2.57,-4.27,;-3.66,-5.36,;-2.57,-6.45,;-1.48,-5.36,)| | ||
Structure |