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Target
Menin
Ligand
BDBM470586
Substrate
n/a
Meas. Tech.
Test for Evaluating the Inhibition of the Menin-MLL Binding
IC50
7.00±n/a nM
Citation
 Kamioka, S; Ban, H; Shimada, N; Hirose, W; Arakawa, A; Yamazaki, K; Hira, K Optically active azabicyclo ring derivative US Patent  US10815241 Publication Date 10/27/2020 
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:
BDBM470586
Synonyms:
US10815241, Example 11 | US11369605, Example 11
Type:
Small organic molecule
Emp. Form.:
C30H39FN6O3
Mol. Mass.:
550.6675
SMILES:
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)C2NC3CCC2CC3)C1 |(-9.34,-3.59,;-8,-4.36,;-6.67,-3.59,;-8,-5.9,;-9.34,-6.67,;-10.67,-5.9,;-9.34,-8.21,;-6.67,-6.67,;-5.33,-5.9,;-6.67,-8.21,;-8,-8.98,;-8,-10.52,;-9.34,-11.29,;-6.67,-11.29,;-5.33,-10.52,;-5.33,-8.98,;-4,-8.21,;-2.67,-8.98,;-2.67,-10.52,;-1.33,-11.29,;,-10.52,;,-8.98,;-1.33,-8.21,;-1.33,-6.67,;-.24,-5.58,;-1.33,-4.49,;-.24,-3.4,;-1.33,-2.31,;-2.42,-3.4,;-1.33,-.77,;-2.67,,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.08,.26,;1.08,1.28,;-2.42,-5.58,)|
Structure:
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