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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516848
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
45.0±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:
BDBM516848
Synonyms:
US11104664, Compound P-19
Type:
Small organic molecule
Emp. Form.:
C31H44N6O3
Mol. Mass.:
548.7195
SMILES:
CCN([C@H]1CC[C@@H](CC1)N1CC(C1)OC)c1c(CC)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:3.2,wD:6.9,(-2.75,-10.21,;-2.75,-8.67,;-1.42,-7.9,;-.08,-8.67,;1.25,-7.9,;2.58,-8.67,;2.58,-10.21,;1.25,-10.98,;-.08,-10.21,;3.92,-10.98,;4.32,-12.47,;5.8,-12.07,;5.41,-10.58,;7.14,-12.84,;8.47,-12.07,;-1.42,-6.36,;-.08,-5.59,;1.25,-6.36,;2.58,-5.59,;-.08,-4.05,;-1.42,-3.28,;-2.75,-4.05,;-4.21,-3.58,;-4.69,-2.11,;-5.12,-4.82,;-4.21,-6.07,;-2.75,-5.59,;1.25,-3.28,;1.25,-1.74,;2.58,-4.05,;3.92,-3.28,;5.25,-4.05,;5.25,-5.59,;3.92,-6.36,;6.59,-6.36,;7.92,-5.59,;9.25,-6.36,;7.92,-4.05,;6.59,-3.28,;6.59,-1.74,)|
Structure:
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