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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516842
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
5.00±n/a nM
Citation
 Peng, J; Liu, Y; Wang, L; Fang, Z; Fei, Z; Chen, X; Lan, J 4,5,6-trisubstituted indazole derivatives, and preparation method and pharmaceutical use thereof US Patent  US11104664 Publication Date 8/31/2021 
Target
Name:
Histone-lysine N-methyltransferase EZH2 [Y641F]
Synonyms:
EZH2 | EZH2(Y641F) | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (Y641F) | KMT6
Type:
n/a
Mol. Mass.:
85351.84
Organism:
Homo sapiens (Human)
Description:
Q15910[Y641F]
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEFCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM516842
Synonyms:
US11104664, Compound P-14
Type:
Small organic molecule
Emp. Form.:
C28H40N6O2
Mol. Mass.:
492.6562
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1c(C)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:3.2,wD:6.9,(-6.15,-.77,;-4.82,-1.54,;-3.48,-.77,;-2.15,-1.54,;-.82,-.77,;.52,-1.54,;.52,-3.08,;-.82,-3.85,;-2.15,-3.08,;1.85,-3.85,;3.19,-3.08,;1.85,-5.39,;-3.48,.77,;-2.15,1.54,;-.82,.77,;-2.15,3.08,;-3.48,3.85,;-4.82,3.08,;-6.28,3.56,;-6.76,5.02,;-7.19,2.31,;-6.28,1.06,;-4.82,1.54,;-.82,3.85,;-.82,5.39,;.52,3.08,;1.85,3.85,;3.19,3.08,;3.19,1.54,;1.85,.77,;4.52,.77,;5.85,1.54,;7.19,.77,;5.85,3.08,;4.52,3.85,;4.52,5.39,)|
Structure:
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