Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [A677G]
Ligand
BDBM458788
Substrate
n/a
Meas. Tech.
Assay for Determining the Activity of the Example Compounds of the Present Invention on EZH2 Enzyme (A677G Mutant or Y641F Mutant)
IC50
38.0±n/a nM
Citation
 Lu, B; Shen, X; He, M; Liu, D; Zhang, M Benzofuran derivative, preparation method thereof and use thereof in medicine US Patent  US11059811 Publication Date 7/13/2021 
Target
Name:
Histone-lysine N-methyltransferase EZH2 [A677G]
Synonyms:
EZH2 | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (A677G) | KMT6
Type:
Enzyme Catalytic Domain
Mol. Mass.:
85485.01
Organism:
Homo sapiens (Human)
Description:
aa A677G
Residue:
747
Sequence:
MMGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDGTRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM458788
Synonyms:
5-Ethyl-6-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-N-((4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-(piperidin-1-ylmethyl)benzofuran-4-carboxamide | US10759787, Example 3 | US11059811, Example 3
Type:
Small organic molecule
Emp. Form.:
C33H46N4O4
Mol. Mass.:
562.7427
SMILES:
CCN(C1CCOCC1)c1cc2oc(CN3CCCCC3)cc2c(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1CC
Structure:
Search PDB for entries with ligand similarity: