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Target
Menin
Ligand
BDBM50516563
Substrate
n/a
Meas. Tech.
ChEMBL_1865913 (CHEMBL4366888)
Ki
11±n/a nM
Citation
 Aguilar, A; Zheng, K; Xu, T; Xu, S; Huang, L; Fernandez-Salas, E; Liu, L; Bernard, D; Harvey, KP; Foster, C; McEachern, D; Stuckey, J; Chinnaswamy, K; Delproposto, J; Kampf, JW; Wang, S Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction. J Med Chem 62:6015-6034 (2019) [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:
BDBM50516563
Synonyms:
CHEMBL4581439 | US10899738, Cpd. No 85
Type:
Small organic molecule
Emp. Form.:
C33H45N3O2S
Mol. Mass.:
547.794
SMILES:
O=S(=O)(C1CCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
Structure:
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