Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310748
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
975±n/a nM
Citation
 Campbell, JE Substituted benzene compounds US Patent  US10150764 Publication Date 12/11/2018 
Target
Name:
Histone-lysine N-methyltransferase EZH2
Synonyms:
ENX-1 | EZH2 | EZH2_HUMAN | Enhancer of zeste homolog 2 (EZH2) | Histone-lysine N-methyltransferase EZH2 | KMT6 | Lysine N-methyltransferase 6
Type:
Protein
Mol. Mass.:
85367.84
Organism:
Homo sapiens (Human)
Description:
Q15910
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM310748
Synonyms:
US10150764, Compound 33b
Type:
Small organic molecule
Emp. Form.:
C24H36ClN5O2
Mol. Mass.:
462.028
SMILES:
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Cl)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-7.93,-1.15,;-6.6,-1.93,;-5.26,-1.15,;-5.26,.38,;-6.6,1.15,;-6.6,2.69,;-5.26,3.47,;-3.93,2.69,;-3.93,1.15,;-5.26,5,;-3.93,5.78,;-6.6,5.78,;-3.93,-1.93,;-3.93,-3.47,;-2.6,-4.23,;-2.6,-5.78,;-1.26,-3.47,;-1.26,-1.93,;.07,-1.15,;.07,.38,;1.41,-1.93,;2.74,-1.15,;4.07,-1.93,;5.54,-1.45,;6.31,-.12,;6.44,-2.69,;7.93,-2.3,;5.54,-3.94,;4.07,-3.47,;2.74,-4.23,;-2.6,-1.15,;-2.6,.38,)|
Structure:
Search PDB for entries with ligand similarity: