Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310770
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
418±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:
BDBM310770
Synonyms:
US10150764, Compound 55
Type:
Small organic molecule
Emp. Form.:
C26H40ClN5O3
Mol. Mass.:
506.08
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(Cl)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(-2.67,2.06,;-1.33,1.29,;,2.06,;,3.6,;1.33,4.37,;1.33,5.91,;,6.68,;-1.33,5.91,;-1.33,4.37,;,8.22,;1.33,8.99,;-1.33,8.99,;-2.67,8.22,;-4,8.99,;-5.33,8.22,;1.33,1.29,;2.67,2.06,;4,1.29,;5.33,2.06,;4,-.25,;2.67,-1.02,;2.67,-2.56,;4,-3.33,;1.33,-3.33,;1.33,-4.87,;,-5.64,;,-7.18,;1.33,-7.95,;-1.46,-7.66,;-2.23,-8.99,;-2.37,-6.41,;-1.46,-5.16,;-2.23,-3.83,;1.33,-.25,;,-1.02,)|
Structure:
Search PDB for entries with ligand similarity: