Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM575032
Substrate
n/a
Meas. Tech.
ZH2 biochemical assay (IC50)
IC50
0.5±n/a nM
Citation
 Brenneman, JB; Côté, A; Gehling, VS; Khanna, A; Levell, JR; Moine, L Modulators of methyl modifying enzymes, compositions and uses thereof US Patent  US11459315 Publication Date 10/4/2022 
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:
BDBM575032
Synonyms:
1-((R)-1-(4-(3-(dimethylamino)azetidin-1-yl)cyclohexyl)ethyl)-2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide | US11459315, Example 148 (isomer 1)
Type:
Small organic molecule
Emp. Form.:
C31H43N5O2S
Mol. Mass.:
549.77
SMILES:
CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)N(C)C)c2ccccc12 |wU:18.19,20.21,(-1.58,6.77,;-.08,7.09,;.95,5.95,;2.46,6.27,;3.49,5.12,;5,5.44,;3.01,3.66,;1.51,3.34,;1.03,1.87,;.48,4.48,;-1.03,4.16,;-1.5,2.7,;-3.01,2.38,;-4.04,3.52,;-3.49,.91,;-2.58,-.34,;-1.04,-.34,;-3.49,-1.58,;-3.01,-3.05,;-4.1,-4.13,;-1.52,-3.44,;-.43,-2.36,;1.05,-2.75,;1.45,-4.24,;.36,-5.33,;-1.13,-4.93,;2.94,-4.64,;4.27,-3.87,;5.04,-5.2,;3.71,-5.97,;6.53,-5.6,;6.93,-7.09,;7.62,-4.51,;-4.95,-1.11,;-6.29,-1.88,;-7.62,-1.11,;-7.62,.43,;-6.29,1.2,;-4.95,.43,)|
Structure:
Search PDB for entries with ligand similarity: