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Target
Menin
Ligand
BDBM506370
Substrate
n/a
Meas. Tech.
Menin Binding Affinity
IC50
1070±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:
615
Sequence:
MGLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGWSPVGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRIVSREAEAAEAEEPWGEEAREGRRRGPRRESKPEEPPPPKKPALDKGLGTGQGAVSGPPRKPPGTVAGTARGPEGGSTAQVPAPTASPPPEGPVLTFQSEKMKGMKELLVATKINSSAIKLQLTAQSQVQMKKQKVSTPSDYTLSFLKRQRKGL
  
Inhibitor
Name:
BDBM506370
Synonyms:
N-((1S,2R)-2-((S)-cyano(1-((1-(4-cyanophenyl)azetidin-3- yl)methyl)piperidin-4-yl)(3- fluorophenyl)methyl)cyclopentyl)ethenesulfonamide | US11045448, Cpd. No. 79
Type:
Small organic molecule
Emp. Form.:
C31H36FN5O2S
Mol. Mass.:
561.713
SMILES:
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NS(=O)(=O)C=C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1 |r|
Structure:
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