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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516871
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
27.0±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:
BDBM516871
Synonyms:
US11104664, Compound P-45
Type:
Small organic molecule
Emp. Form.:
C29H40F2N6O2
Mol. Mass.:
542.6637
SMILES:
CCN(C1CCC(CC1)N(C)CC(F)F)c1c(C)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(3.33,-.38,;1.99,.38,;.66,-.38,;.66,-1.93,;-.68,-2.69,;-.68,-4.23,;.66,-5,;1.99,-4.23,;1.99,-2.69,;.66,-6.54,;-.68,-7.31,;1.99,-7.31,;1.99,-8.85,;.66,-9.62,;3.33,-9.62,;-.68,.38,;-.68,1.93,;.66,2.69,;-2.01,2.69,;-3.34,1.93,;-3.34,.38,;-4.49,-.65,;-5.99,-.33,;-3.86,-2.05,;-2.33,-1.89,;-2.01,-.38,;-2.01,4.23,;-3.34,5,;-.68,5,;.66,4.23,;1.99,5,;3.33,4.23,;3.33,2.69,;4.66,5,;4.66,6.54,;5.99,7.31,;3.33,7.31,;1.99,6.54,;.66,7.31,)|
Structure:
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