Ki Summary

Reaction Details

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Target

E3 ubiquitin-protein ligase Mdm2

Ligand

BDBM50436121

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_968095 (CHEMBL2401547)

18100±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

BDBM50436121

n/a

Name

BDBM50436121

Synonyms:

CHEMBL2397473

Type

Small organic molecule

Emp. Form.

C97H139N27O25S4

Mol. Mass.

2211.567

SMILES

CC(C)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]1CSSC[C@H]2NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC2=O)C(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)[C@H](C)O |r,wU:17.17,4.4,125.130,113.117,82.85,71.73,58.60,46.47,37.38,99.102,wD:8.13,28.28,139.146,90.113,67.157,150.159,51.56,33.34,95.110,(13.5,-49.28,;15.04,-49.26,;15.03,-50.78,;15.79,-47.91,;17.32,-47.88,;18.09,-46.54,;17.3,-45.23,;15.75,-45.25,;18.06,-43.88,;19.57,-43.87,;20.38,-45.19,;21.91,-45.17,;22.66,-43.82,;22.69,-46.48,;17.26,-42.56,;18.02,-41.21,;19.54,-41.19,;17.23,-39.9,;17.99,-38.55,;15.68,-39.92,;14.94,-41.25,;15.57,-42.66,;14.46,-43.7,;13.11,-42.94,;13.41,-41.43,;18.13,-49.22,;19.65,-49.19,;17.36,-50.56,;18.16,-51.87,;19.7,-51.85,;20.48,-53.18,;32.81,-61.89,;33.53,-61.31,;34.76,-62.24,;34.56,-63.77,;33.14,-64.35,;31.9,-63.42,;32.94,-65.87,;34.16,-66.82,;35.58,-66.24,;36.8,-67.17,;38.22,-66.58,;39.45,-67.51,;31.51,-66.48,;31.31,-68.01,;32.53,-68.94,;29.88,-68.58,;29.68,-70.11,;29.41,-67.64,;27.24,-68.24,;27.04,-69.77,;26.02,-67.29,;26.31,-65.76,;24.72,-65.22,;23.72,-66.56,;24.66,-67.94,;24.26,-69.43,;25.37,-70.52,;22.78,-69.84,;22.39,-71.3,;20.89,-71.72,;20.5,-73.2,;21.59,-74.28,;19.01,-73.6,;21.7,-68.73,;20.21,-69.14,;19.82,-70.62,;19.12,-68.06,;17.62,-68.45,;16.55,-67.36,;16.94,-65.86,;15.06,-67.75,;14.66,-69.24,;15.74,-70.34,;15.35,-71.82,;16.45,-72.9,;17.94,-72.5,;18.33,-71.02,;17.23,-69.94,;13.96,-66.67,;12.48,-67.07,;12.08,-68.56,;11.39,-65.97,;9.91,-66.38,;9.51,-67.87,;8.02,-68.27,;10.59,-68.95,;11.79,-64.5,;13.28,-64.09,;14.37,-65.18,;13.68,-62.59,;15.16,-62.2,;16.25,-63.29,;37.69,-55.54,;38.41,-54.96,;39.64,-55.9,;39.44,-57.43,;38.01,-58.02,;36.79,-57.07,;37.82,-59.55,;39.04,-60.48,;40.45,-59.89,;41.4,-58.36,;41.67,-60.82,;36.38,-60.12,;36.19,-61.65,;37.41,-62.58,;41.06,-55.31,;42.06,-53.78,;42.28,-56.25,;12.89,-61.28,;11.35,-61.3,;10.59,-62.65,;10.56,-59.98,;9.01,-60,;8.27,-61.35,;6.72,-61.38,;5.98,-62.71,;6.75,-64.02,;6.01,-65.37,;8.3,-64.01,;9.04,-62.66,;11.32,-58.64,;10.52,-57.3,;8.98,-57.33,;11.28,-55.98,;10.49,-54.65,;8.94,-54.68,;8.08,-55.94,;6.6,-55.49,;6.56,-53.96,;5.38,-52.96,;5.68,-51.44,;7.12,-50.93,;8.3,-51.93,;8.01,-53.44,;12.83,-55.96,;13.57,-54.61,;12.79,-53.28,;15.11,-54.59,;15.89,-55.92,;17.44,-55.89,;18.23,-57.21,;19.77,-57.19,;20.56,-58.52,;22.1,-58.5,;19.81,-59.87,;15.86,-53.24,;17.39,-53.22,;18.2,-54.55,;19.51,-66.57,;18.43,-65.47,;21,-66.17,)|

Structure