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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516847
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:
BDBM516847
Synonyms:
US11104664, Compound P-18
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:3.2,6.9,(-6.88,4.37,;-6.88,5.91,;-5.55,6.68,;-4.22,5.91,;-2.88,6.68,;-1.55,5.91,;-1.55,4.37,;-2.88,3.6,;-4.22,4.37,;-.22,3.6,;.18,2.11,;1.67,2.51,;1.27,4,;3,1.74,;4.34,2.51,;-5.55,8.22,;-4.22,8.99,;-2.88,8.22,;-1.55,8.99,;-4.22,10.53,;-5.55,11.3,;-6.88,10.53,;-8.35,11.01,;-8.82,12.47,;-9.25,9.76,;-8.35,8.51,;-6.88,8.99,;-2.88,11.3,;-2.88,12.84,;-1.55,10.53,;-.22,11.3,;1.12,10.53,;1.12,8.99,;-.22,8.22,;2.45,8.22,;3.79,8.99,;5.12,8.22,;3.79,10.53,;2.45,11.3,;2.45,12.84,)|
Structure:
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