Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2
Ligand
BDBM50392244
Substrate
n/a
Meas. Tech.
ChEMBL_850546 (CHEMBL2157768)
Kd
53±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:
BDBM50392244
Synonyms:
CHEMBL2153475
Type:
Small organic molecule
Emp. Form.:
C75H105N17O17
Mol. Mass.:
1516.7399
SMILES:
CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:38.43,22.30,8.8,90.95,wD:81.87,67.83,53.67,46.46,33.34,13.18,4.4,98.103,(32.98,-24.45,;32.95,-26.01,;34.25,-26.8,;31.61,-26.75,;31.58,-28.3,;30.23,-29.05,;28.92,-28.27,;28.95,-26.71,;27.56,-29.01,;27.53,-30.54,;26.25,-28.23,;24.9,-28.98,;24.86,-30.5,;23.59,-28.19,;23.62,-26.64,;24.96,-25.91,;24.98,-24.35,;23.65,-23.55,;26.31,-23.61,;22.23,-28.94,;20.92,-28.16,;20.96,-26.6,;19.57,-28.9,;19.53,-30.43,;20.86,-31.24,;22.22,-30.47,;23.54,-31.25,;23.52,-32.79,;22.17,-33.55,;20.85,-32.75,;18.26,-28.12,;16.9,-28.87,;16.87,-30.39,;15.59,-28.08,;15.63,-26.53,;14.24,-28.83,;12.93,-28.05,;12.96,-26.49,;11.57,-28.79,;11.55,-30.32,;12.87,-31.13,;12.84,-32.64,;14.23,-30.37,;10.26,-28,;8.91,-28.74,;8.88,-30.28,;7.6,-27.95,;7.7,-26.41,;6.06,-26.05,;5.21,-27.5,;6.32,-28.76,;6.1,-30.28,;7.31,-31.24,;4.68,-30.86,;3.47,-29.91,;2.04,-30.48,;.73,-29.66,;-.45,-30.64,;.12,-32.07,;-.56,-33.45,;.3,-34.73,;1.84,-34.63,;2.51,-33.24,;1.66,-31.97,;4.46,-32.38,;5.67,-33.33,;7.09,-32.76,;5.45,-34.86,;4.02,-35.43,;3.8,-36.95,;4.9,-38.02,;4.22,-39.4,;2.7,-39.18,;1.51,-40.17,;.07,-39.64,;-.19,-38.12,;.99,-37.14,;2.44,-37.67,;6.66,-35.81,;8.08,-35.24,;8.3,-33.71,;9.29,-36.19,;10.72,-35.61,;9.07,-37.71,;7.65,-38.28,;6.44,-37.33,;7.43,-39.81,;32.89,-29.09,;32.86,-30.61,;34.25,-28.34,;35.56,-29.12,;35.52,-30.65,;36.85,-31.45,;36.83,-32.97,;38.21,-30.7,;36.91,-28.38,;36.94,-26.82,;38.22,-29.16,;39.58,-28.41,;39.61,-26.86,;40.95,-26.12,;40.97,-24.56,;42.31,-23.83,;42.34,-22.28,;41.01,-21.47,;43.67,-21.54,;40.89,-29.2,;42.24,-28.45,;40.85,-30.72,)|
Structure:
Search PDB for entries with ligand similarity: