Reaction Details Report a problem with these data
Target
Menin
Ligand
BDBM50489222
Substrate
n/a
Meas. Tech.
ChEMBL_934332 (CHEMBL2320318)
Kd
1.4±n/a nM
Citation
 Zhou, H; Liu, L; Huang, J; Bernard, D; Karatas, H; Navarro, A; Lei, M; Wang, S Structure-based design of high-affinity macrocyclic peptidomimetics to block the menin-mixed lineage leukemia 1 (MLL1) protein-protein interaction. J Med Chem 56:1113-23 (2013) [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:
BDBM50489222
Synonyms:
CHEMBL2314822
Type:
Small organic molecule
Emp. Form.:
C86H107F2N17O18
Mol. Mass.:
1704.8697
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
Structure:
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