Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50041056
Substrate
n/a
Meas. Tech.
ChEMBL_1445462 (CHEMBL3380268)
Ki
234±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:
BDBM50041056
Synonyms:
CHEMBL3355413
Type:
Small organic molecule
Emp. Form.:
C27H28Cl2FN3O3
Mol. Mass.:
532.434
SMILES:
O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCC2)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:17.20,4.7,wD:16.29,10.10,1.0,(53.34,-24.73,;52.95,-26.21,;51.46,-26.61,;51.06,-28.11,;52.16,-29.18,;53.64,-28.78,;54.04,-27.3,;51.77,-30.67,;50.28,-31.08,;49.19,-29.99,;49.89,-32.57,;51.39,-32.89,;51.55,-34.41,;52.88,-35.18,;53.65,-33.85,;52.32,-33.09,;50.15,-35.05,;49.12,-33.91,;48.02,-32.81,;48.43,-31.31,;47.33,-30.21,;45.82,-30.61,;45.43,-32.12,;43.94,-32.53,;46.53,-33.21,;46.14,-34.7,;51.06,-36.31,;52.6,-36.3,;50.16,-37.57,;48.68,-37.1,;47.34,-37.87,;46.01,-37.1,;44.68,-37.86,;46.01,-35.55,;47.34,-34.78,;48.67,-35.55,)|
Structure:
Search PDB for entries with ligand similarity: