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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM574971
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:
BDBM574971
Synonyms:
7-((R)-1-(4-(3-cyclopropoxyazetidin-1-yl)cyclohexyl)ethyl)-6-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | US11459315, Example 102 (isomer 2)
Type:
Small organic molecule
Emp. Form.:
C30H40N6O3S
Mol. Mass.:
564.742
SMILES:
CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC2CC2)c2ncncc12 |wU:18.19,wD:20.26,(3.45,-3.34,;4.94,-3.74,;5.33,-5.22,;6.82,-5.62,;7.22,-7.11,;8.71,-7.51,;6.13,-8.2,;4.64,-7.8,;3.56,-8.89,;4.25,-6.31,;2.76,-5.91,;2.36,-4.43,;.87,-4.03,;-.22,-5.12,;.4,-2.56,;1.3,-1.32,;2.84,-1.32,;.4,-.07,;.87,1.39,;2.38,1.71,;-.16,2.54,;.32,4,;-.71,5.15,;-2.22,4.83,;-2.7,3.36,;-1.66,2.22,;-3.25,5.97,;-4.79,6.05,;-4.71,7.59,;-3.17,7.51,;-5.74,8.73,;-7.24,8.41,;-8.39,7.38,;-8.71,8.89,;-1.07,-.55,;-2.4,.22,;-3.74,-.55,;-3.74,-2.09,;-2.4,-2.86,;-1.07,-2.09,)|
Structure:
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