Reaction Details
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Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM172150
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
5.09±n/a nM
Comments
extracted
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 US9090562 Publication Date 7/28/2015 More Info.:
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:
BDBM172150
Synonyms:
US10155002, Compound 158 | US11052093, Compound 158 | US9090562, 158
Type:
Small organic molecule
Emp. Form.:
C32H43N5O2
Mol. Mass.:
529.7161
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(C)nc1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;-.67,-4.23,;-.67,-5.78,;-2,-3.47,;-2,-1.93,)|
Structure:
