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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310798
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
1216±n/a nM
Citation
 Campbell, JE Substituted benzene compounds US Patent  US10150764 Publication Date 12/11/2018 
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:
BDBM310798
Synonyms:
US10150764, Compound 84
Type:
Small organic molecule
Emp. Form.:
C35H49ClN6O3
Mol. Mass.:
637.255
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)Cc1cccc(OC)c1)c1cc(Cl)cc(C(=O)NCc2c(N3CCCCC3)n(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-1.33,2.99,;,2.22,;1.33,2.99,;1.33,4.53,;,5.3,;,6.84,;1.33,7.61,;2.67,6.84,;2.67,5.3,;1.33,9.15,;2.67,9.92,;,9.92,;-1.33,9.15,;-1.33,7.61,;-2.67,6.84,;-4,7.61,;-4,9.15,;-5.33,9.92,;-6.67,9.15,;-2.67,9.92,;2.67,2.22,;4,2.99,;5.33,2.22,;6.67,2.99,;5.33,.68,;4,-.09,;4,-1.63,;5.33,-2.4,;2.67,-2.4,;2.67,-3.94,;1.33,-4.71,;1.33,-6.25,;2.42,-7.34,;2.02,-8.83,;3.11,-9.92,;4.6,-9.52,;5,-8.03,;3.91,-6.94,;-.13,-6.73,;-.9,-8.06,;-1.04,-5.48,;-.13,-4.24,;-.9,-2.9,;2.67,.68,;1.33,-.09,)|
Structure:
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