Reaction Details |
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Target | Menin |
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Ligand | BDBM50582751 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2155531 (CHEMBL5040191) |
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IC50 | 2.7±n/a nM |
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Citation | Zhang, M; Aguilar, A; Xu, S; Huang, L; Chinnaswamy, K; Sleger, T; Wang, B; Gross, S; Nicolay, BN; Ronseaux, S; Harvey, K; Wang, Y; McEachern, D; Kirchhoff, PD; Liu, Z; Stuckey, J; Tron, AE; Liu, T; Wang, S Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. J Med Chem64:10333-10349 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Menin |
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Name: | Menin |
Synonyms: | MEN1 | MEN1_HUMAN | Menin/Histone-lysine N-methyltransferase MLL | SCG2 |
Type: | Protein |
Mol. Mass.: | 68022.55 |
Organism: | Homo sapiens (Human) |
Description: | O00255 |
Residue: | 610 |
Sequence: | MGLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPE
LTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKK
VSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSED
HAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMV
CAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLT
LYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEI
YKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGI
CKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRIVSREAEAAEAEEPWGEEAREGRR
RGPRRESKPEEPPPPKKPALDKGLGTGQGAVSGPPRKPPGTVAGTARGPEGGSTAQVPAP
TASPPPEGPVLTFQSEKMKGMKELLVATKINSSAIKLQLTAQSQVQMKKQKVSTPSDYTL
SFLKRQRKGL
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BDBM50582751 |
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n/a |
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Name | BDBM50582751 |
Synonyms: | CHEMBL5094183 |
Type | Small organic molecule |
Emp. Form. | C42H57FN6O6S |
Mol. Mass. | 793.002 |
SMILES | [H][C@]12CN([C@]([H])(CN1C(=O)C=C)C2)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)[C@@](CN2CCC2)(c2cccc(F)c2)[C@@]2([H])CCC[C@@H]2NC(=O)OC)(C1)OC |r| |
Structure |
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