Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310808
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:
BDBM310808
Synonyms:
US10150764, Compound 94
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(nn(C)c2OC)N2CCCCC2)c1C |r,wU:3.2,wD:6.9,(.52,7.91,;1.29,6.58,;.52,5.25,;-1.02,5.25,;-1.79,3.91,;-3.33,3.91,;-4.1,5.25,;-3.33,6.58,;-1.79,6.58,;-5.64,5.25,;-6.41,6.58,;-6.41,3.91,;1.29,3.91,;2.83,3.91,;3.6,2.58,;5.14,2.58,;2.83,1.25,;1.29,1.25,;.52,-.09,;-1.02,-.09,;1.29,-1.42,;.52,-2.76,;1.29,-4.09,;2.75,-4.56,;2.75,-6.1,;1.29,-6.58,;.52,-7.91,;.38,-5.33,;-1.11,-5.73,;-1.51,-7.22,;3.84,-3.48,;5.33,-3.87,;6.41,-2.79,;6.02,-1.3,;4.53,-.9,;3.44,-1.99,;.52,2.58,;-1.02,2.58,)|
Structure:
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