Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310779
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
442±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:
BDBM310779
Synonyms:
US10150764, Compound 65
Type:
Small organic molecule
Emp. Form.:
C27H42ClN5O3
Mol. Mass.:
520.107
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(Cl)cc(C(=O)NCc2c(C)n(CC)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-1.33,.37,;-1.33,1.91,;,2.68,;,4.22,;1.33,4.99,;1.33,6.53,;,7.3,;-1.33,6.53,;-1.33,4.99,;,8.84,;1.33,9.61,;-1.33,9.61,;-2.67,8.84,;-4,9.61,;-5.33,8.84,;1.33,1.91,;2.67,2.68,;4,1.91,;5.33,2.68,;4,.37,;2.67,-.4,;2.67,-1.94,;4,-2.71,;1.33,-2.71,;1.33,-4.25,;,-5.02,;,-6.56,;1.33,-7.33,;-1.46,-7.03,;-1.86,-8.52,;-.77,-9.61,;-2.37,-5.79,;-1.46,-4.54,;-2.23,-3.21,;1.33,.37,;,-.4,)|
Structure:
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