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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM588048
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
3.30±n/a nM
Citation
 Jung, SH; Hong, DJ; Hwang, JY; Kim, SH; Park, SM; Mah, SM; Ahn, YG Dioxoloisoquinolinone derivatives and use thereof US Patent  US11535629 Publication Date 12/27/2022 
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:
BDBM588048
Synonyms:
(R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-yl)methyl)-2- (trans-4- (dimethylamino)cyclohexyl)-2,4- dimethyl-9-(1-methyl-1H-pyrrol- 2-yl)-7,8-dihydro- [1,3]dioxolo[4,5-g]isoquinolin- 5(6H)-one | US11535629, Compound 48
Type:
Small organic molecule
Emp. Form.:
C33H42N4O4
Mol. Mass.:
558.711
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccn1C)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-2.34,2.32,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)|
Structure:
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