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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM172161
Substrate
n/a
Meas. Tech.
PRC2 Enzyme Assays
IC50
2.74±n/a nM
Citation
 Kuntz, KW; Chesworth, R; Duncan, KW; Keilhack, H; Warholic, N; Klaus, C; Knutson, SK; Wigle, TJ; Seki, M; Shirotori, S; Kawano, S Aryl- or heteroaryl-substituted benzene compounds US Patent  US10155002 Publication Date 12/18/2018 
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:
BDBM172161
Synonyms:
US10155002, Compound 169 | US11052093, Compound 169 | US9090562, 169
Type:
Small organic molecule
Emp. Form.:
C30H42N6O2
Mol. Mass.:
518.6935
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1nccn1C |r,wU:3.2,wD:6.9,(-2,4.65,;-3.33,3.88,;-3.33,2.34,;-4.67,1.57,;-4.67,.03,;-6,-.74,;-7.34,.03,;-7.34,1.57,;-6,2.34,;-8.67,-.74,;-10,.03,;-8.67,-2.28,;-2,1.57,;-2,.03,;-.67,-.74,;.67,.03,;.67,1.57,;2,2.34,;2,3.88,;3.33,1.57,;4.67,2.34,;6,1.57,;7.34,2.34,;7.34,3.88,;8.67,1.57,;8.67,.03,;10,-.74,;7.34,-.74,;6,.03,;4.67,-.74,;-.67,2.34,;-.67,3.88,;-.67,-2.28,;.58,-3.19,;.1,-4.65,;-1.44,-4.65,;-1.91,-3.19,;-3.25,-2.42,)|
Structure:
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