Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM50433560

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_959850 (CHEMBL2383514)

55±n/a nM

Citation

Carry, JC; Garcia-Echeverria, C Inhibitors of the p53/hdm2 protein-protein interaction-path to the clinic. Bioorg Med Chem Lett23:2480-5 (2013) [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

BDBM50433560

n/a

Name

BDBM50433560

Synonyms:

CHEMBL2381409

Type

Small organic molecule

Emp. Form.

C99H155N27O25

Mol. Mass.

2123.4559

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O |r,wU:138.147,123.132,110.114,148.153,34.36,8.8,63.78,79.81,50.52,wD:132.138,114.123,99.110,50.98,42.44,20.20,4.3,68.70,88.90,63.65,c:60,(47.02,-30.4,;47.02,-28.86,;48.37,-28.09,;45.69,-28.09,;45.69,-26.55,;44.35,-25.77,;43.01,-26.55,;43.01,-28.09,;41.68,-25.77,;41.68,-24.23,;43.01,-23.46,;44.34,-24.23,;45.68,-23.46,;45.68,-21.92,;47.01,-21.15,;47.01,-19.61,;48.35,-21.92,;40.33,-26.55,;39,-25.77,;39,-24.23,;37.66,-26.55,;37.66,-28.09,;39,-28.86,;40.41,-28.24,;41.44,-29.39,;40.67,-30.73,;41.14,-32.2,;40.1,-33.35,;38.6,-33.02,;38.12,-31.55,;39.15,-30.41,;36.32,-25.77,;34.98,-26.55,;34.98,-28.09,;33.64,-25.77,;33.64,-24.23,;34.98,-23.45,;34.98,-21.91,;36.32,-24.23,;32.31,-26.55,;30.96,-25.77,;30.96,-24.23,;29.63,-26.55,;29.63,-28.09,;30.96,-28.86,;32.31,-28.09,;30.96,-30.4,;28.29,-25.77,;26.96,-26.55,;26.96,-28.09,;25.61,-25.77,;24.27,-25,;25.61,-24.23,;26.94,-23.46,;26.94,-21.92,;28.27,-21.14,;28.27,-19.6,;29.6,-18.83,;29.6,-17.29,;30.93,-16.52,;48.34,-18.84,;49.68,-19.61,;49.69,-21.15,;51.02,-21.91,;52.35,-22.68,;51.03,-23.45,;49.7,-24.23,;48.36,-23.46,;49.7,-25.77,;51.04,-26.53,;51.04,-28.07,;52.38,-28.84,;49.71,-28.85,;48.37,-26.55,;47.02,-25.77,;47.02,-24.23,;52.35,-21.14,;53.69,-21.9,;52.35,-19.6,;53.68,-18.82,;53.67,-17.28,;55,-16.51,;55,-14.97,;53.66,-14.2,;56.33,-14.2,;55.02,-19.59,;55.02,-21.13,;56.35,-18.81,;57.68,-19.58,;57.69,-21.12,;59.02,-21.89,;60.36,-21.11,;59.03,-23.43,;59.01,-18.81,;60.35,-19.57,;59.01,-17.27,;24.28,-26.55,;22.94,-25.77,;22.94,-24.23,;21.6,-26.55,;21.6,-28.09,;22.94,-28.86,;24.27,-28.09,;25.62,-28.87,;25.61,-30.41,;24.28,-31.18,;22.94,-30.41,;20.27,-25.77,;18.92,-26.55,;18.92,-28.09,;17.59,-25.77,;16.25,-26.55,;14.91,-25.77,;14.91,-24.23,;13.58,-26.55,;13.58,-28.09,;14.91,-28.86,;14.91,-30.4,;13.58,-31.18,;16.25,-31.18,;12.23,-25.77,;10.9,-26.55,;10.9,-28.09,;9.56,-25.77,;9.56,-24.23,;10.9,-23.45,;10.9,-21.91,;9.56,-21.13,;12.23,-21.13,;8.23,-26.55,;6.88,-25.77,;6.88,-24.23,;5.55,-26.55,;5.55,-28.09,;6.88,-28.86,;4.21,-25.77,;2.86,-26.55,;2.86,-28.09,;1.53,-25.77,;1.53,-24.23,;2.86,-23.45,;2.86,-21.91,;1.53,-21.13,;4.21,-21.13,;.19,-26.55,;-1.16,-25.78,;-2.49,-26.56,;-1.15,-24.24,;17.59,-24.23,;16.25,-23.45,;18.92,-23.45,)|

Structure