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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM575013
Substrate
n/a
Meas. Tech.
ZH2 biochemical assay (IC50)
IC50
0.5±n/a nM
Citation
 Brenneman, JB; Côté, A; Gehling, VS; Khanna, A; Levell, JR; Moine, L Modulators of methyl modifying enzymes, compositions and uses thereof US Patent  US11459315 Publication Date 10/4/2022 
Target
Name:
Histone-lysine N-methyltransferase EZH2
Synonyms:
ENX-1 | EZH2 | EZH2_HUMAN | Enhancer of zeste homolog 2 (EZH2) | Histone-lysine N-methyltransferase EZH2 | KMT6 | Lysine N-methyltransferase 6
Type:
Protein
Mol. Mass.:
85367.84
Organism:
Homo sapiens (Human)
Description:
Q15910
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM575013
Synonyms:
(R)-1-(1-(4-(3-hydroxyazetidin-1-yl)cyclohexyl)ethyl)-2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide | US11459315, Example 136
Type:
Small organic molecule
Emp. Form.:
C29H38N4O3S
Mol. Mass.:
522.702
SMILES:
CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(O)C2)c2ccccc12 |wU:18.19,(.01,.82,;1.52,1.14,;1.99,2.6,;3.5,2.92,;3.97,4.38,;5.48,4.71,;2.94,5.53,;1.44,5.21,;.41,6.35,;.96,3.74,;-.54,3.42,;-1.02,1.96,;-2.53,1.64,;-3.56,2.78,;-3,.17,;-2.1,-1.07,;-.56,-1.07,;-3,-2.32,;-2.53,-3.78,;-3.56,-4.93,;-1.02,-4.1,;.01,-2.96,;1.52,-3.28,;1.99,-4.74,;.96,-5.89,;-.54,-5.57,;3.5,-5.06,;4.79,-4.22,;5.63,-5.51,;7.13,-5.84,;4.34,-6.35,;-4.47,-1.84,;-5.8,-2.61,;-7.13,-1.84,;-7.13,-.3,;-5.8,.47,;-4.47,-.3,)|
Structure:
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