Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM310740
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
8345±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:
BDBM310740
Synonyms:
US10150764, Compound 2
Type:
Small organic molecule
Emp. Form.:
C27H36ClN5O2
Mol. Mass.:
498.06
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)cc3cc[nH]n3c2=O)c1C |r,wU:6.9,wD:3.2,(-2.82,1.54,;-1.48,.77,;-.15,1.54,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,;-.15,7.7,;1.18,8.47,;-1.48,8.47,;1.18,.77,;2.52,1.54,;3.85,.77,;5.19,1.54,;3.85,-.77,;2.52,-1.54,;2.52,-3.08,;3.85,-3.85,;1.18,-3.85,;1.18,-5.39,;-.15,-6.16,;-.15,-7.7,;1.18,-8.47,;-1.48,-8.47,;-2.82,-7.7,;-4.28,-8.18,;-5.19,-6.93,;-4.28,-5.68,;-2.82,-6.16,;-1.48,-5.39,;-1.48,-3.85,;1.18,-.77,;-.15,-1.54,)|
Structure:
Search PDB for entries with ligand similarity: