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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516859
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
46.0±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:
BDBM516859
Synonyms:
US11104664, Compound P-30
Type:
Small organic molecule
Emp. Form.:
C32H47N7O2
Mol. Mass.:
561.7613
SMILES:
CCN(C1CCC(CC1)N1CCN(C)CC1)c1c(CC)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(3.33,1.54,;1.99,2.31,;.66,1.54,;.66,,;-.68,-.77,;-.68,-2.31,;.66,-3.08,;1.99,-2.31,;1.99,-.77,;.66,-4.62,;-.68,-5.39,;-.68,-6.93,;.66,-7.7,;.66,-9.24,;1.99,-6.93,;1.99,-5.39,;-.68,2.31,;-.68,3.85,;.66,4.62,;1.99,3.85,;-2.01,4.62,;-3.34,3.85,;-3.34,2.31,;-4.49,1.28,;-5.99,1.6,;-3.86,-.13,;-2.33,.03,;-2.01,1.54,;-2.01,6.16,;-3.34,6.93,;-.68,6.93,;.66,6.16,;1.99,6.93,;3.33,6.16,;3.33,4.62,;4.66,6.93,;4.66,8.47,;5.99,9.24,;3.33,9.24,;1.99,8.47,;.66,9.24,)|
Structure:
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