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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516868
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
253±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:
BDBM516868
Synonyms:
US11104664, Compound P-42
Type:
Small organic molecule
Emp. Form.:
C29H42N6O2
Mol. Mass.:
506.6828
SMILES:
CCN(C1CCC(CC1)N(C)C)c1c(C)c(cc2n(C)nc(C)c12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(3.33,-.39,;1.99,.38,;.66,-.39,;.66,-1.93,;-.68,-2.7,;-.68,-4.24,;.66,-5.01,;1.99,-4.24,;1.99,-2.7,;.66,-6.55,;-.68,-7.32,;1.99,-7.32,;-.68,.38,;-.68,1.92,;.66,2.69,;-2.01,2.7,;-3.34,1.92,;-3.34,.38,;-4.49,-.65,;-5.99,-.33,;-3.86,-2.05,;-2.33,-1.89,;-1.3,-3.04,;-2.01,-.38,;-2.01,4.24,;-3.34,5.01,;-.68,5.01,;.66,4.24,;1.99,5.01,;3.33,4.24,;3.33,2.7,;4.66,5.01,;4.66,6.55,;5.99,7.32,;3.33,7.32,;1.99,6.55,;.66,7.32,)|
Structure:
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