Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310795
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
5.00±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:
BDBM310795
Synonyms:
US10150764, Compound 81
Type:
Small organic molecule
Emp. Form.:
C27H41ClN6O2
Mol. Mass.:
517.106
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(N3CCCC3)n(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-.67,7.17,;.67,6.4,;.67,4.86,;-.67,4.09,;-.67,2.55,;-2,1.78,;-3.33,2.55,;-3.33,4.09,;-2,4.86,;-4.67,1.78,;-4.67,.24,;-6,2.55,;2,4.09,;3.33,4.86,;4.67,4.09,;6,4.86,;4.67,2.55,;3.33,1.78,;3.33,.24,;4.67,-.53,;2,-.53,;2,-2.07,;.67,-2.84,;.67,-4.38,;2,-5.15,;2,-6.69,;3.47,-7.17,;4.37,-5.92,;3.47,-4.68,;-.8,-4.86,;-1.57,-6.19,;-1.7,-3.61,;-.8,-2.37,;-1.57,-1.03,;2,2.55,;.67,1.78,)|
Structure:
Search PDB for entries with ligand similarity: