Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM50605104

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2250432 (CHEMBL5164642)

IC50

<0.100000±n/a nM

Citation

Zhang, S; Yan, Z; Li, Y; Gong, Y; Lyu, X; Lou, J; Zhang, D; Meng, X; Zhao, Y Structure-Based Discovery of MDM2/4 Dual Inhibitors that Exert Antitumor Activities against MDM4-Overexpressing Cancer Cells. J Med Chem65:6207-6230 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

E3 ubiquitin-protein ligase Mdm2

Name:

E3 ubiquitin-protein ligase Mdm2

Synonyms:

Type:

Oncoprotein

Mol. Mass.:

55196.54

Organism:

Homo sapiens (Human)

Description:

Q00987

Residue:

491

Sequence:

MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQY
IMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGT
SVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQ
RKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDS
VSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLA
DYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVP
DCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQ
DKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQ
PIQMIVLTYFP

BDBM50605104

n/a

Name

BDBM50605104

Synonyms:

CHEMBL5180980

Type

Small organic molecule

Emp. Form.

C42H37Cl3N6O5

Mol. Mass.

812.139

SMILES

C[C@@H](c1ccc(Cl)cc1Cl)n1cnc(c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1cc(ccc1N1CCC(CC1)N1CCCOC1=O)C(O)=O)-c1ccccc1 |r,wU:1.0,(-6.38,.63,;-5.61,1.97,;-6.38,3.3,;-7.92,3.3,;-8.68,4.63,;-7.91,5.97,;-8.68,7.3,;-6.38,5.97,;-5.6,4.64,;-4.06,4.64,;-4.07,1.97,;-3.23,3.26,;-1.74,2.86,;-1.66,1.32,;-3.1,.77,;-3.5,-.72,;-2.59,-1.96,;-3.5,-3.21,;-4.96,-2.73,;-6.29,-3.5,;-7.62,-2.74,;-8.96,-3.51,;-7.62,-1.19,;-6.29,-.42,;-4.96,-1.19,;-1.05,-1.96,;-.28,-.63,;-.28,-3.3,;-1.05,-4.63,;-2.6,-4.63,;-3.36,-5.97,;-2.59,-7.29,;-1.05,-7.29,;-.28,-5.96,;1.26,-5.96,;2.03,-4.63,;3.57,-4.63,;4.34,-5.96,;3.57,-7.3,;2.03,-7.3,;5.88,-5.96,;6.65,-7.3,;8.19,-7.3,;8.96,-5.96,;8.19,-4.63,;6.65,-4.63,;5.88,-3.3,;-4.9,-5.97,;-5.67,-4.63,;-5.67,-7.3,;-.17,1.72,;.22,3.21,;1.71,3.61,;2.8,2.52,;2.4,1.03,;.92,.63,)|

Structure