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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310784
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
12.0±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:
BDBM310784
Synonyms:
US10150764, Compound 70
Type:
Small organic molecule
Emp. Form.:
C33H46ClN5O3
Mol. Mass.:
596.203
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)Cc1ccc(OC)cc1)c1cc(Cl)cc(C(=O)NCc2c(C)n(CC)nc2OC)c1C |r,wU:6.9,wD:3.2,(-.67,.37,;-.67,1.91,;.67,2.68,;.67,4.22,;2,4.99,;2,6.53,;.67,7.3,;-.67,6.53,;-.67,4.99,;.67,8.84,;2,9.61,;-.67,9.61,;-2,8.84,;-2,7.3,;-3.33,6.53,;-4.67,7.3,;-6,6.53,;-6,4.99,;-4.67,8.84,;-3.33,9.61,;2,1.91,;3.33,2.68,;4.67,1.91,;6,2.68,;4.67,.37,;3.33,-.4,;3.33,-1.94,;4.67,-2.71,;2,-2.71,;2,-4.25,;.67,-5.02,;.67,-6.56,;2,-7.33,;-.8,-7.03,;-1.2,-8.52,;-.11,-9.61,;-1.7,-5.79,;-.8,-4.54,;-1.2,-3.06,;-.11,-1.97,;2,.37,;.67,-.4,)|
Structure:
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