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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516865
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
12.0±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:
BDBM516865
Synonyms:
US11104664, Compound P-37
Type:
Small organic molecule
Emp. Form.:
C31H41F3N6O3
Mol. Mass.:
602.6908
SMILES:
CCN(C1CCC(CC1)N1CC(C1)OCC(F)(F)F)c1c(C)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(3.33,1.76,;1.99,2.53,;.66,1.76,;.66,.22,;-.68,-.55,;-.68,-2.09,;.66,-2.86,;1.99,-2.09,;1.99,-.55,;.66,-4.4,;-.43,-5.49,;.66,-6.58,;1.75,-5.49,;.66,-8.12,;-.68,-8.89,;-2.01,-8.12,;-3.34,-7.35,;-1.24,-6.79,;-2.78,-9.46,;-.68,2.53,;-.68,4.07,;.66,4.84,;-2.01,4.84,;-3.34,4.07,;-3.34,2.53,;-4.49,1.5,;-5.99,1.82,;-3.86,.09,;-2.33,.25,;-2.01,1.76,;-2.01,6.38,;-3.34,7.15,;-.68,7.15,;.66,6.38,;1.99,7.15,;3.33,6.38,;3.33,4.84,;4.66,7.15,;4.66,8.69,;5.99,9.46,;3.33,9.46,;1.99,8.69,;.66,9.46,)|
Structure:
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