Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetE3 ubiquitin-protein ligase Mdm2
LigandBDBM50237763
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1661768 (CHEMBL4011380)
Ki<1±n/a nM
Citation Aguilar, A; Lu, J; Liu, L; Du, D; Bernard, D; McEachern, D; Przybranowski, S; Li, X; Luo, R; Wen, B; Sun, D; Wang, H; Wen, J; Wang, G; Zhai, Y; Guo, M; Yang, D; Wang, S Discovery of 4-((3'R,4'S,5'R)-6¿-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2¿-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3¿-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic Acid (AA-115/APG-115): A Potent and Orally Active Murine Double Minute 2 (MDM2) Inhibitor in Clinical Deve J Med Chem60:2819-2839 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
E3 ubiquitin-protein ligase Mdm2
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:
MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQY
IMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGT
SVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQ
RKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDS
VSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLA
DYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVP
DCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQ
DKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQ
PIQMIVLTYFP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50237763
n/a
NameBDBM50237763
Synonyms:CHEMBL4084366
TypeSmall organic molecule
Emp. Form.C28H28Cl2FN3O4
Mol. Mass.560.444
SMILESOC(=O)[C@H]1C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:18.31,19.22,5.7,wD:10.10,3.2,(15.44,-35.61,;15.03,-34.13,;16.12,-33.04,;13.55,-33.74,;12.87,-32.36,;11.49,-33.04,;12.17,-34.42,;10.03,-32.55,;8.88,-33.57,;7.45,-33,;9.26,-35.06,;10.7,-35.61,;10.62,-37.14,;11.02,-38.62,;12.5,-39.02,;13.59,-37.94,;13.19,-36.45,;11.7,-36.05,;9.14,-37.55,;8.2,-36.29,;6.86,-34.77,;6.56,-33.25,;5.11,-32.75,;3.95,-33.76,;4.24,-35.28,;3.08,-36.29,;5.7,-35.78,;7.38,-36.76,;10.05,-38.8,;11.46,-39.96,;9.15,-40.06,;7.67,-39.59,;6.33,-40.36,;5,-39.59,;3.66,-40.36,;5,-38.05,;6.33,-37.28,;7.66,-38.04,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: