Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [A687V]
Ligand
BDBM190207
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
7.6±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:
BDBM190207
Synonyms:
EPZ008496 | US9175331, 39
Type:
Small organic molecule
Emp. Form.:
C32H46N4O2
Mol. Mass.:
518.7332
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC(C)(C)C |r,wU:3.2,wD:6.9,(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,;1.33,-1.54,;2.67,-2.31,;4,-3.08,;5.33,-3.85,;4.77,-1.75,;3.23,-4.41,)|
Structure:
Search PDB for entries with ligand similarity: