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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM310747
Substrate
n/a
Meas. Tech.
Wild-Type PRC2 Enzyme Assay
IC50
38.0±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:
BDBM310747
Synonyms:
US10150764, Compound 33a
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)[nH]nc2OC)c1C |r,wU:3.2,wD:6.9,(-7.19,-1.15,;-5.85,-1.93,;-4.52,-1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-3.19,2.69,;-3.19,1.15,;-4.52,5,;-3.19,5.78,;-5.85,5.78,;-3.19,-1.93,;-3.19,-3.47,;-1.85,-4.23,;-1.85,-5.78,;-.52,-3.47,;-.52,-1.93,;.82,-1.15,;.82,.38,;2.15,-1.93,;3.48,-1.15,;4.82,-1.93,;6.28,-1.45,;7.05,-.12,;7.19,-2.69,;6.28,-3.94,;4.82,-3.47,;3.73,-4.55,;2.24,-4.16,;-1.85,-1.15,;-1.85,.38,)|
Structure:
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