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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310806
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
>50000±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:
BDBM310806
Synonyms:
US10150764, Compound 92
Type:
Small organic molecule
Emp. Form.:
C29H45ClN6O2
Mol. Mass.:
545.16
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)nn(C)c2N2CCCCC2)c1C |r,wU:3.2,wD:6.9,(.52,7.39,;1.29,6.06,;.52,4.73,;-1.02,4.73,;-1.79,3.39,;-3.33,3.39,;-4.1,4.73,;-3.33,6.06,;-1.79,6.06,;-5.64,4.73,;-6.41,6.06,;-6.41,3.39,;1.29,3.39,;2.83,3.39,;3.6,2.06,;5.14,2.06,;2.83,.73,;1.29,.73,;.52,-.61,;-1.02,-.61,;1.29,-1.94,;.52,-3.27,;1.29,-4.61,;.38,-5.85,;-1.11,-6.25,;-2.2,-5.16,;1.29,-7.1,;2.75,-6.62,;4.08,-7.39,;2.75,-5.08,;3.84,-4,;5.33,-4.39,;6.41,-3.31,;6.02,-1.82,;4.53,-1.42,;3.44,-2.51,;.52,2.06,;-1.02,2.06,)|
Structure:
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