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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516879
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
>10000±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:
BDBM516879
Synonyms:
US11104664, Compound D4
Type:
Small organic molecule
Emp. Form.:
C26H33F3N6O2
Mol. Mass.:
518.5744
SMILES:
CN(C1CCC(CC1)NC(F)(F)F)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c2n(C)ncc12 |(6.26,-1.01,;4.92,-.24,;3.59,-1.01,;3.59,-2.55,;2.26,-3.32,;.92,-2.55,;.92,-1.01,;2.26,-.24,;-.41,-3.32,;-1.94,-3.16,;-2.85,-4.4,;-2.57,-1.75,;-1.32,-4.56,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;8.93,3.61,;7.59,5.92,;8.93,6.69,;8.93,8.23,;10.26,9,;11.59,8.23,;10.26,10.54,;8.93,11.31,;8.93,12.85,;7.59,10.54,;7.59,9,;6.26,8.23,;4.92,4.38,;4.92,5.92,;3.59,3.61,;2.13,4.09,;1.65,5.55,;1.22,2.84,;2.13,1.6,;3.59,2.07,)|
Structure:
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