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Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50605104
Substrate
n/a
Meas. Tech.
ChEMBL_2250432 (CHEMBL5164642)
IC50
<0.100000±n/a nM
Citation
 Zhang, S; Yan, Z; Li, Y; Gong, Y; Lyu, X; Lou, J; Zhang, D; Meng, X; Zhao, Y Structure-Based Discovery of MDM2/4 Dual Inhibitors that Exert Antitumor Activities against MDM4-Overexpressing Cancer Cells. J Med Chem 65:6207-6230 (2022) [PubMed] 
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:
BDBM50605104
Synonyms:
CHEMBL5180980
Type:
Small organic molecule
Emp. Form.:
C42H37Cl3N6O5
Mol. Mass.:
812.139
SMILES:
C[C@@H](c1ccc(Cl)cc1Cl)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1cc(ccc1N1CCC(CC1)N1CCCOC1=O)C(O)=O)-c1ccccc1 |r,wU:1.0,(-6.38,.63,;-5.61,1.97,;-6.38,3.3,;-7.92,3.3,;-8.68,4.63,;-7.91,5.97,;-8.68,7.3,;-6.38,5.97,;-5.6,4.64,;-4.06,4.64,;-4.07,1.97,;-3.23,3.26,;-1.74,2.86,;-1.66,1.32,;-3.1,.77,;-3.5,-.72,;-2.59,-1.96,;-3.5,-3.21,;-4.96,-2.73,;-6.29,-3.5,;-7.62,-2.74,;-8.96,-3.51,;-7.62,-1.19,;-6.29,-.42,;-4.96,-1.19,;-1.05,-1.96,;-.28,-.63,;-.28,-3.3,;-1.05,-4.63,;-2.6,-4.63,;-3.36,-5.97,;-2.59,-7.29,;-1.05,-7.29,;-.28,-5.96,;1.26,-5.96,;2.03,-4.63,;3.57,-4.63,;4.34,-5.96,;3.57,-7.3,;2.03,-7.3,;5.88,-5.96,;6.65,-7.3,;8.19,-7.3,;8.96,-5.96,;8.19,-4.63,;6.65,-4.63,;5.88,-3.3,;-4.9,-5.97,;-5.67,-4.63,;-5.67,-7.3,;-.17,1.72,;.22,3.21,;1.71,3.61,;2.8,2.52,;2.4,1.03,;.92,.63,)|
Structure:
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