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Target
Menin
Ligand
BDBM50582735
Substrate
n/a
Meas. Tech.
ChEMBL_2155531 (CHEMBL5040191)
IC50
2.9±n/a nM
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 Chem 64:10333-10349 (2021) [PubMed]  Article 
Target
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:
MGLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRIVSREAEAAEAEEPWGEEAREGRRRGPRRESKPEEPPPPKKPALDKGLGTGQGAVSGPPRKPPGTVAGTARGPEGGSTAQVPAPTASPPPEGPVLTFQSEKMKGMKELLVATKINSSAIKLQLTAQSQVQMKKQKVSTPSDYTLSFLKRQRKGL
  
Inhibitor
Name:
BDBM50582735
Synonyms:
CHEMBL5090509
Type:
Small organic molecule
Emp. Form.:
C37H51FN4O4S
Mol. Mass.:
666.889
SMILES:
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
Structure:
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