Reaction Details Report a problem with these data
Target
Menin
Ligand
BDBM506341
Substrate
n/a
Meas. Tech.
Menin Binding Affinity
IC50
2.00±n/a nM
Citation
 Wang, S; Aguilar, A; Xu, S; Huang, L; Stuckey, J; Xu, T Piperidines as covalent menin inhibitors US Patent  US11045448 Publication Date 6/29/2021 
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:
BDBM506341
Synonyms:
US11045448, Cpd. No. 9 | methyl ((1S,2R)-2-((S)-1-(1-((1-(4-((3- acrylamidophenyl)sulfonyl)phenyl)-3-fluoroazetidin-3- yl)methyl)piperidin-4-yl)-2-(2-ethyl-1H-imidazol-1-yl)-1-(3- fluorophenyl)ethyl)cyclopentyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C44H52F2N6O5S
Mol. Mass.:
814.983
SMILES:
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
Structure:
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