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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310800
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
1.000±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:
BDBM310800
Synonyms:
US10150764, Compound 86
Type:
Small organic molecule
Emp. Form.:
C24H36ClN5O3
Mol. Mass.:
478.027
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(OC)n(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-2.82,.13,;-2.82,1.67,;-1.48,2.44,;-1.48,3.98,;-.15,4.75,;-.15,6.29,;-1.48,7.06,;-2.82,6.29,;-2.82,4.75,;-1.48,8.6,;-.15,9.37,;-2.82,9.37,;-.15,1.67,;1.18,2.44,;2.52,1.67,;3.85,2.44,;2.52,.13,;1.18,-.64,;1.18,-2.18,;2.52,-2.95,;-.15,-2.95,;-.15,-4.49,;-1.48,-5.26,;-1.48,-6.8,;-.39,-7.89,;-.79,-9.37,;-2.95,-7.27,;-3.72,-8.61,;-3.85,-6.03,;-2.95,-4.78,;-3.72,-3.45,;-.15,.13,;-1.48,-.64,)|
Structure:
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