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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594116
Substrate
n/a
Meas. Tech.
ChEMBL_2210977 (CHEMBL5123926)
IC50
0.350000±n/a nM
Citation
 Xia, J; Li, J; Tian, L; Ren, X; Liu, C; Liang, C Targeting Enhancer of Zeste Homolog 2 for the Treatment of Hematological Malignancies and Solid Tumors: Candidate Structure-Activity Relationships Insights and Evolution Prospects. J Med Chem 65:7016-7043 (2022) [PubMed] 
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:
BDBM50594116
Synonyms:
CHEMBL5185991
Type:
Small organic molecule
Emp. Form.:
C28H36BrN3O4
Mol. Mass.:
558.507
SMILES:
[H][C@@]1(CC[C@@H](CC1)N(C)C)C1(C)Oc2c(O1)c(Br)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:4.7,1.0,(4.02,.48,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.95,1.2,;8.62,2.97,;8.22,4.46,;10.11,2.58,;4.26,-1.38,;5.6,-2.15,;3.36,-.14,;1.89,-.61,;1.89,-2.15,;3.36,-2.63,;.57,-2.92,;.57,-4.46,;-.77,-2.16,;-2.11,-2.94,;-3.45,-2.16,;-3.44,-.62,;-4.77,.15,;-6.11,-.62,;-6.1,-2.16,;-4.77,-2.93,;-7.44,-2.93,;-8.77,-2.16,;-10.11,-2.93,;-8.77,-.62,;-7.44,.15,;-7.44,1.69,;-2.11,.15,;-2.11,1.69,;-.77,-.61,;.56,.16,;.56,1.7,)|
Structure:
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