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Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM162065
Substrate
n/a
Meas. Tech.
Cytoxicity Assay of PC3 cell
IC50
3200±n/a nM
Citation
 Webb, TR; Lagisetti, C Anticancer compounds US Patent  US9682993 Publication Date 6/20/2017 
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:
BDBM162065
Synonyms:
US9682993, Table III
Type:
Small organic molecule
Emp. Form.:
C29H46N2O7
Mol. Mass.:
534.6847
SMILES:
CCCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:16.15,19.19,26.25,wD:9.9,28.30,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-11.26,2.31,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)|
Structure:
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