Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM50436123

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_968096 (CHEMBL2398954)

IC50

214±n/a nM

Citation

Li, C; Zhan, C; Zhao, L; Chen, X; Lu, WY; Lu, W Functional consequences of retro-inverso isomerization of a miniature protein inhibitor of the p53-MDM2 interaction. Bioorg Med Chem21:4045-50 (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

BDBM50436123

n/a

Name

BDBM50436123

Synonyms:

L-STINGIN

Type

Small organic molecule

Emp. Form.

C97H139N27O25S4

Mol. Mass.

2211.567

SMILES

CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,wD:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,(32.63,-3.94,;32.63,-5.48,;31.3,-6.25,;33.95,-6.25,;33.95,-7.79,;32.63,-8.56,;32.63,-10.1,;33.95,-10.87,;31.3,-10.87,;31.3,-12.41,;32.63,-13.18,;19.28,-22.44,;19.26,-23.98,;17.93,-24.73,;17.9,-26.27,;16.56,-27.02,;15.24,-26.23,;16.55,-28.56,;15.2,-29.31,;13.88,-28.52,;12.53,-29.28,;13.9,-26.99,;17.87,-29.35,;19.21,-28.6,;19.23,-27.06,;20.53,-29.38,;20.52,-30.92,;21.87,-28.62,;21.89,-27.08,;17.96,-10.87,;19.31,-10.1,;19.31,-8.56,;17.96,-7.79,;16.63,-8.56,;16.63,-10.1,;15.3,-7.79,;15.3,-6.25,;16.63,-5.48,;17.96,-6.25,;16.63,-3.94,;13.97,-8.56,;13.97,-10.1,;15.3,-10.87,;12.63,-10.87,;11.3,-10.1,;11.3,-8.56,;12.63,-7.8,;12.62,-6.25,;11.29,-5.48,;9.96,-6.25,;9.96,-7.79,;12.63,-12.41,;11.3,-13.18,;9.97,-12.41,;11.3,-14.72,;9.97,-15.49,;8.64,-14.72,;8.64,-13.18,;7.3,-15.49,;5.97,-14.72,;4.64,-15.49,;4.64,-17.02,;5.97,-17.79,;3.31,-17.79,;7.3,-17.02,;8.64,-17.79,;9.97,-17.02,;8.64,-19.33,;7.25,-20.05,;7.77,-21.64,;9.46,-21.62,;9.99,-20.02,;11.32,-19.27,;11.34,-17.73,;12.64,-20.05,;13.99,-19.29,;12.63,-21.59,;13.95,-22.37,;15.29,-21.62,;13.93,-23.91,;12.58,-24.66,;12.58,-26.2,;11.24,-26.97,;11.21,-28.51,;9.88,-29.26,;15.26,-24.7,;16.6,-23.94,;16.62,-22.41,;12.63,-15.49,;12.63,-17.02,;13.97,-14.72,;20.63,-7.79,;20.63,-6.25,;21.96,-8.56,;21.96,-10.1,;20.63,-10.87,;20.63,-12.41,;21.98,-13.18,;21.98,-14.73,;20.66,-15.5,;20.66,-17.03,;19.31,-14.73,;19.31,-13.18,;23.29,-10.87,;23.29,-12.41,;24.63,-10.1,;24.63,-8.56,;23.29,-7.79,;23.21,-5.8,;22.01,-5,;22.35,-3.5,;23.89,-3.36,;24.8,-2.13,;26.33,-2.32,;26.93,-3.74,;26.02,-4.96,;24.49,-4.78,;25.96,-7.79,;25.96,-6.25,;27.29,-8.56,;28.63,-7.79,;28.63,-6.25,;29.97,-5.48,;29.97,-3.94,;31.3,-3.17,;31.3,-1.64,;32.63,-.87,;29.97,-.87,;29.97,-8.56,;31.3,-7.79,;29.97,-10.1,;35.29,-8.56,;35.29,-10.1,;36.62,-7.79,;37.96,-8.56,;39.29,-7.79,;39.29,-6.25,;37.96,-5.48,;37.96,-3.94,;36.62,-6.25,;37.96,-10.1,;39.29,-10.87,;36.62,-10.87,;36.62,-12.41,;37.96,-13.18,;37.96,-14.72,;36.71,-15.63,;37.18,-17.08,;38.73,-17.09,;39.21,-15.63,;35.29,-13.18,;35.29,-14.72,;33.95,-12.41,)|

Structure