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Target
Menin
Ligand
BDBM50156122
Substrate
n/a
Meas. Tech.
ChEMBL_1565586 (CHEMBL3782255)
Kd
6.5±n/a nM
Citation
 Borkin, D; Pollock, J; Kempinska, K; Purohit, T; Li, X; Wen, B; Zhao, T; Miao, H; Shukla, S; He, M; Sun, D; Cierpicki, T; Grembecka, J Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J Med Chem 59:892-913 (2016) [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:
BDBM50156122
Synonyms:
CHEMBL3781030
Type:
Small organic molecule
Emp. Form.:
C27H25F3N8OS
Mol. Mass.:
566.601
SMILES:
Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N
Structure:
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