Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [A687V]
Ligand
BDBM190194
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
5.1±n/a nM
Citation
 Kuntz, KW; Knutson, SK; Wigle, TJ Inhibitors of human EZH2, and methods of use thereof US Patent  US9175331 Publication Date 11/3/2015 
Target
Name:
Histone-lysine N-methyltransferase EZH2 [A687V]
Synonyms:
EZH2 | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (A687V) | KMT6
Type:
Protein
Mol. Mass.:
85395.90
Organism:
Homo sapiens (Human)
Description:
Q15910[A687V]
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFVNHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM190194
Synonyms:
EPZ007789 | US9175331, 22
Type:
Small organic molecule
Emp. Form.:
C28H42N4O4S
Mol. Mass.:
530.722
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)S(=O)(=O)CC |r,wU:3.2,wD:6.9,(-5.33,3.08,;-5.33,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-5.39,;-2.67,-6.16,;-5.33,-6.16,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;,1.54,;1.33,.77,;2.67,1.54,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;4,-5.39,;2.67,-6.16,;2.67,-7.7,;1.33,-5.39,;1.33,-3.85,;,-3.08,;-1.33,.77,;-1.33,-.77,;-1.33,5.39,;.21,5.39,;-2.87,5.39,;-1.33,6.93,;,7.7,)|
Structure:
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