Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM224650 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.7627±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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BDBM224650 | |||
n/a | |||
Name | BDBM224650 | ||
Synonyms: | 3-[6-{[(1r)-1- cyclobutylethyl]amino}-7- [(trans-4- methylcyclohexyl)methyl]- 8-(phenylsulfanyl)-7h- purin-2-yl]-1,2,4- oxadiazol-5(4h)-one | US9540377, 19.1 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33N7O2S | ||
Mol. Mass. | 519.662 | ||
SMILES | C[C@@H](Nc1nc(nc2nc(Sc3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,19.19,wD:22.23,(-4.31,-1.82,;-2.98,-2.59,;-1.64,-1.82,;-1.64,-.28,;-2.98,.49,;-2.98,2.03,;-1.64,2.8,;-.31,2.03,;1.16,2.51,;2.06,1.26,;3.6,1.26,;4.37,2.6,;5.91,2.6,;6.68,3.93,;5.91,5.26,;4.37,5.26,;3.6,3.93,;1.16,.02,;1.16,-1.52,;2.49,-2.29,;3.82,-1.52,;5.16,-2.29,;5.16,-3.83,;6.49,-4.6,;3.82,-4.6,;2.49,-3.83,;-.31,.49,;-4.31,2.8,;-5.78,2.33,;-6.68,3.57,;-5.78,4.82,;-6.17,6.31,;-4.31,4.34,;-2.98,-4.13,;-4.07,-5.22,;-2.98,-6.31,;-1.89,-5.22,)| | ||
Structure |