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Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50041085
Substrate
n/a
Meas. Tech.
ChEMBL_1445462 (CHEMBL3380268)
IC50
20±n/a nM
Citation
 Aguilar, A; Sun, W; Liu, L; Lu, J; McEachern, D; Bernard, D; Deschamps, JR; Wang, S Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles. J Med Chem 57:10486-98 (2014) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase Mdm2
Synonyms:
Double minute 2 protein | Double minute 2 protein (HDM2) | E3 ubiquitin-protein ligase Mdm2 (p53-binding protein Mdm2) | Hdm2 | Human Double Minute 2 (HDM2) | MDM2 | MDM2-MDMX | MDM2_HUMAN | p53-Binding Protein MDM2 | p53-binding protein
Type:
Oncoprotein
Mol. Mass.:
55196.54
Organism:
Homo sapiens (Human)
Description:
Q00987
Residue:
491
Sequence:
MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP
  
Inhibitor
Name:
BDBM50041085
Synonyms:
CHEMBL3355429
Type:
Small organic molecule
Emp. Form.:
C28H30Cl2FN3O3
Mol. Mass.:
546.461
SMILES:
C[C@@]1(O)C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:17.30,18.21,4.6,1.1,wD:9.9,(50,-16.12,;48.92,-17.21,;48.14,-15.87,;47.59,-17.99,;48.36,-19.31,;49.69,-18.54,;47.97,-20.8,;46.49,-21.21,;45.39,-20.13,;46.09,-22.71,;47.6,-23.03,;47.75,-24.55,;48.52,-25.88,;50.04,-25.89,;50.82,-24.57,;50.05,-23.24,;48.52,-23.23,;46.36,-25.19,;45.32,-24.04,;44.22,-22.94,;44.63,-21.44,;43.53,-20.34,;42.03,-20.75,;41.63,-22.26,;40.14,-22.66,;42.73,-23.35,;42.34,-24.84,;47.27,-26.44,;48.81,-26.44,;46.37,-27.7,;44.89,-27.23,;43.55,-28,;42.21,-27.23,;40.88,-28,;42.21,-25.69,;43.54,-24.92,;44.88,-25.68,)|
Structure:
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