Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50436681
Substrate
n/a
Meas. Tech.
ChEMBL_967970 (CHEMBL2401074)
Ki
0.620000±n/a nM
Citation
 Zhao, Y; Yu, S; Sun, W; Liu, L; Lu, J; McEachern, D; Shargary, S; Bernard, D; Li, X; Zhao, T; Zou, P; Sun, D; Wang, S A potent small-molecule inhibitor of the MDM2-p53 interaction (MI-888) achieved complete and durable tumor regression in mice. J Med Chem 56:5553-61 (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:
BDBM50436681
Synonyms:
CHEMBL2398479
Type:
Small organic molecule
Emp. Form.:
C28H33Cl2FN4O4S
Mol. Mass.:
611.555
SMILES:
CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O |r,wU:17.19,8.8,31.34,5.4,wD:7.31,33.39,(12.69,-41.86,;11.49,-40.9,;11.72,-39.38,;12.96,-40.5,;10.05,-41.46,;8.85,-40.49,;8.93,-38.96,;7.48,-38.41,;6.52,-39.61,;5.18,-38.84,;3.85,-39.62,;2.51,-38.85,;2.5,-37.3,;3.84,-36.52,;3.84,-34.98,;5.18,-37.29,;5.17,-35.74,;7.37,-40.9,;8.28,-42.16,;9.82,-42.16,;7.36,-43.41,;5.89,-42.93,;4.56,-43.71,;3.22,-42.93,;1.89,-43.7,;3.22,-41.39,;4.55,-40.62,;5.89,-41.38,;7.49,-36.87,;6.16,-36.1,;8.83,-36.11,;10.16,-36.88,;11.64,-36.5,;12.03,-37.98,;10.54,-38.38,;13.36,-38.76,;14.7,-37.99,;14.71,-36.45,;16.24,-37.99,;15.47,-39.33,)|
Structure:
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