Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50542271
Substrate
n/a
Meas. Tech.
ChEMBL_1986468 (CHEMBL4620015)
Ki
0.900000±n/a nM
Citation
 Blaquiere, N; Villemure, E; Staben, ST Medicinal Chemistry of Inhibiting RING-Type E3 Ubiquitin Ligases. J Med Chem 63:7957-7985 (2020) [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:
BDBM50542271
Synonyms:
CHEMBL4639742
Type:
Small organic molecule
Emp. Form.:
C29H34Cl2FN3O3
Mol. Mass.:
562.503
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]1CC[C@H](O)CC1 |r,wU:17.29,5.4,31.34,8.8,wD:7.31,34.38,(46.22,-17.82,;44.89,-17.05,;44.89,-15.51,;46.22,-16.28,;43.55,-17.82,;42.22,-17.05,;42.22,-15.51,;40.73,-15.11,;39.89,-16.41,;38.56,-15.63,;37.23,-16.41,;35.9,-15.63,;35.9,-14.09,;37.22,-13.33,;37.22,-11.79,;38.56,-14.09,;39.89,-14.86,;40.87,-17.6,;41.77,-18.84,;43.31,-18.84,;40.87,-20.09,;39.39,-19.62,;38.07,-20.38,;36.74,-19.63,;35.41,-20.39,;36.74,-18.08,;38.07,-17.3,;39.39,-18.07,;40.34,-13.62,;38.85,-13.23,;41.42,-12.53,;41.03,-11.05,;39.54,-10.65,;39.14,-9.16,;40.23,-8.07,;39.83,-6.6,;41.72,-8.47,;42.11,-9.96,)|
Structure:
Search PDB for entries with ligand similarity: