Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50392243
Substrate
n/a
Meas. Tech.
ChEMBL_850546 (CHEMBL2157768)
Kd
0.22±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:
BDBM50392243
Synonyms:
CHEMBL2153474
Type:
Small organic molecule
Emp. Form.:
C73H104F4N18O18
Mol. Mass.:
1597.7103
SMILES:
CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)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]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:88.93,81.85,54.64,41.46,17.22,4.4,102.105,wD:86.90,66.81,49.50,26.38,8.13,94.97,(29.11,-49.65,;29.11,-48.11,;30.44,-47.34,;27.78,-47.34,;27.77,-45.8,;26.43,-45.03,;25.1,-45.8,;25.11,-47.34,;23.77,-45.03,;23.77,-43.49,;25.11,-42.71,;25.11,-41.17,;26.44,-40.41,;26.43,-38.84,;22.44,-45.8,;21.1,-45.03,;21.1,-43.49,;19.77,-45.8,;19.77,-47.34,;21.1,-48.1,;21.1,-49.64,;19.77,-50.42,;22.44,-50.42,;18.43,-45.03,;17.09,-45.8,;17.09,-47.34,;15.76,-45.03,;15.76,-43.49,;17.09,-42.72,;17.09,-41.18,;18.43,-40.41,;19.76,-41.17,;19.76,-42.71,;18.43,-43.49,;21.09,-40.39,;22.43,-41.16,;21.09,-38.85,;22.42,-39.61,;14.43,-45.8,;13.09,-45.03,;13.1,-43.49,;11.75,-45.8,;11.76,-47.34,;13.1,-48.11,;14.43,-47.34,;13.1,-49.65,;10.42,-45.03,;9.09,-45.8,;9.09,-47.35,;7.75,-45.03,;7.75,-43.49,;6.42,-45.8,;5.09,-45.03,;5.09,-43.49,;3.75,-45.81,;3.75,-47.34,;5.09,-48.11,;6.42,-47.34,;7.75,-48.12,;7.75,-49.66,;9.09,-50.42,;6.42,-50.42,;5.09,-49.66,;2.41,-45.03,;1.08,-45.8,;1.08,-47.34,;-.25,-45.03,;-.25,-43.49,;1.09,-42.72,;2.49,-43.35,;3.52,-42.2,;2.74,-40.86,;3.22,-39.39,;2.19,-38.25,;2.67,-36.78,;.68,-38.58,;.21,-40.04,;1.24,-41.19,;-1.59,-45.8,;-2.92,-45.03,;-2.92,-43.5,;-4.26,-45.81,;-4.25,-47.35,;-5.58,-45.03,;-6.92,-45.81,;-6.92,-47.35,;-8.26,-45.03,;-9.59,-45.81,;-8.26,-43.49,;-9.59,-42.73,;-6.93,-42.73,;29.1,-45.03,;29.1,-43.49,;30.44,-45.8,;31.77,-45.03,;31.77,-43.49,;33.11,-42.7,;33.11,-41.16,;34.44,-43.47,;33.11,-45.8,;33.11,-47.34,;34.45,-45.02,;35.78,-45.79,;35.78,-47.34,;37.11,-48.1,;37.11,-49.63,;38.45,-50.42,;38.45,-51.95,;37.12,-52.73,;39.79,-52.73,;37.12,-45.03,;38.45,-45.8,;37.11,-43.49,)|
Structure:
Search PDB for entries with ligand similarity: