Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50392240
Substrate
n/a
Meas. Tech.
ChEMBL_850546 (CHEMBL2157768)
Kd
37.8±n/a nM
Citation
 Zhan, C; Zhao, L; Wei, X; Wu, X; Chen, X; Yuan, W; Lu, WY; Pazgier, M; Lu, W An ultrahigh affinity d-peptide antagonist Of MDM2. J Med Chem 55:6237-41 (2012) [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:
BDBM50392240
Synonyms:
CHEMBL2153360
Type:
Small organic molecule
Emp. Form.:
C72H106N18O18
Mol. Mass.:
1511.7218
SMILES:
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:91.96,84.88,58.68,45.50,25.30,8.12,97.100,wD:89.93,70.84,53.54,34.42,16.21,4.4,(32.72,5.46,;32.72,3.92,;34.05,3.15,;31.38,3.14,;31.38,1.6,;30.05,.83,;28.71,1.6,;28.72,3.14,;27.38,.83,;27.39,-.71,;28.72,-1.48,;28.72,-3.03,;30.05,-.71,;26.05,1.6,;24.71,.83,;24.72,-.71,;23.38,1.6,;23.38,3.14,;24.72,3.92,;24.72,5.46,;26.05,6.22,;26.04,7.8,;22.05,.82,;20.71,1.6,;20.71,3.14,;19.38,.83,;19.38,-.71,;20.71,-1.48,;20.72,-3.02,;19.38,-3.79,;22.05,-3.79,;18.04,1.6,;16.7,.82,;16.7,-.72,;15.37,1.59,;15.37,3.13,;16.7,3.91,;18.04,3.14,;19.37,3.92,;19.37,5.46,;18.04,6.22,;16.7,5.45,;14.04,.83,;12.71,1.6,;12.71,3.14,;11.37,.82,;11.37,-.72,;12.71,-1.48,;14.04,-.71,;12.71,-3.03,;10.04,1.6,;8.7,.82,;8.7,-.72,;7.36,1.59,;7.36,3.14,;6.03,.82,;4.7,1.59,;4.7,3.14,;3.36,.82,;3.36,-.72,;4.7,-1.48,;6.03,-.72,;7.36,-1.49,;7.36,-3.03,;8.7,-3.8,;6.04,-3.8,;4.7,-3.03,;2.03,1.59,;.69,.82,;.69,-.72,;-.64,1.59,;-.63,3.13,;.7,3.91,;2.1,3.28,;3.13,4.42,;2.35,5.76,;2.83,7.23,;1.8,8.38,;.3,8.06,;-.18,6.58,;.85,5.44,;-1.97,.82,;-3.31,1.59,;-3.31,3.13,;-4.64,.82,;-4.64,-.72,;-5.97,1.6,;-7.31,.82,;-7.31,-.72,;-8.65,1.59,;-9.98,.82,;-8.65,3.13,;-9.98,3.9,;-7.32,3.9,;32.72,.83,;32.72,-.71,;34.06,1.61,;35.39,.84,;35.39,-.71,;36.72,-1.47,;36.72,-3.01,;38.06,-3.79,;38.06,-5.33,;36.73,-6.1,;39.4,-6.1,;36.73,1.6,;38.06,.83,;36.72,3.14,)|
Structure:
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