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Target
Menin
Ligand
BDBM506334
Substrate
n/a
Meas. Tech.
Menin Binding Affinity
IC50
374±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:
BDBM506334
Synonyms:
(1S,2R)-2-((R)-(1-((1-(4-((1-acryloylazetidin-3- yl)sulfonyl)phenyl)azetidin-3-yl)methyl)piperidin-4- yl)(cyano)(3-fluorophenyl)methyl)cyclopentyl methylcarbamate | US11045448, Cpd. No. 2
Type:
Small organic molecule
Emp. Form.:
C36H44FN5O5S
Mol. Mass.:
677.828
SMILES:
CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
Structure:
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