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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516841
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
23.0±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:
BDBM516841
Synonyms:
US11104664, Compound P-13
Type:
Small organic molecule
Emp. Form.:
C28H40N6O2
Mol. Mass.:
492.6562
SMILES:
CCN([C@@H]1CC[C@@H](CC1)N(C)C)c1c(C)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:3.2,6.9,(-6.15,-26.52,;-4.82,-27.29,;-3.48,-26.52,;-2.15,-27.29,;-2.15,-28.83,;-.82,-29.6,;.52,-28.83,;.52,-27.29,;-.82,-26.52,;1.85,-29.6,;3.19,-28.83,;1.85,-31.14,;-3.48,-24.98,;-2.15,-24.21,;-.82,-24.98,;-2.15,-22.67,;-3.48,-21.9,;-4.82,-22.67,;-6.28,-22.19,;-6.76,-20.73,;-7.19,-23.44,;-6.28,-24.68,;-4.82,-24.21,;-.82,-21.9,;-.82,-20.36,;.52,-22.67,;1.85,-21.9,;3.19,-22.67,;3.19,-24.21,;1.85,-24.98,;4.52,-24.98,;5.85,-24.21,;7.19,-24.98,;5.85,-22.67,;4.52,-21.9,;4.52,-20.36,)|
Structure:
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