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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM172173
Substrate
n/a
Meas. Tech.
PRC2 Enzyme Assays
IC50
2.23±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:
BDBM172173
Synonyms:
US10155002, Compound 181 | US11052093, Compound 181 | US9090562, 181
Type:
Small organic molecule
Emp. Form.:
C36H47N5O3
Mol. Mass.:
597.7901
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)|
Structure:
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