Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM224103
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.68±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.:
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:
BDBM224103
Synonyms:
6-(3-chlorophenyl)-7- [(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purine-2- carboxylic acid | US9540377, 16.22
Type:
Small organic molecule
Emp. Form.:
C30H32ClN5O3
Mol. Mass.:
546.06
SMILES:
C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cccc(Cl)c4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,30.34,(6.57,-3.92,;5.09,-3.52,;4.69,-2.03,;3.2,-1.63,;2.11,-2.72,;.62,-2.32,;.23,-.83,;1.13,.41,;.23,1.66,;-1.24,1.18,;-2.57,1.95,;-3.91,1.18,;-3.91,-.36,;-2.57,-1.13,;-2.57,-2.67,;-1.24,-3.44,;-1.24,-4.98,;-2.57,-5.75,;-3.91,-4.98,;-5.24,-5.75,;-3.91,-3.44,;-1.24,-.36,;-5.24,1.95,;-6.57,1.18,;-5.24,3.49,;2.67,.41,;3.44,-.92,;4.98,-.92,;5.75,.41,;4.98,1.75,;3.44,1.75,;2.67,3.08,;3.44,4.41,;2.67,5.75,;1.13,5.75,;.36,4.41,;1.13,3.08,;2.51,-4.21,;4,-4.61,)|