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Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516850
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
14.0±n/a nM
Citation
 Peng, J; Liu, Y; Wang, L; Fang, Z; Fei, Z; Chen, X; Lan, J 4,5,6-trisubstituted indazole derivatives, and preparation method and pharmaceutical use thereof US Patent  US11104664 Publication Date 8/31/2021 
Target
Name:
Histone-lysine N-methyltransferase EZH2 [Y641F]
Synonyms:
EZH2 | EZH2(Y641F) | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (Y641F) | KMT6
Type:
n/a
Mol. Mass.:
85351.84
Organism:
Homo sapiens (Human)
Description:
Q15910[Y641F]
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEFCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM516850
Synonyms:
US11104664, Compound P-21
Type:
Small organic molecule
Emp. Form.:
C30H44N6O4
Mol. Mass.:
552.7082
SMILES:
CCc1c(cc2n(C)ncc2c1N(C)C1CCC(CC1)N(C)CCOC)C(=O)NCc1c(OC)cc(C)[nH]c1=O |(6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-.74,5.55,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;2.53,-.24,;1.2,-1.01,;3.86,-1.01,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;3.86,-2.55,;7.87,-3.32,;9.2,-2.55,;7.87,-4.86,;9.2,-5.63,;9.2,-7.17,;10.53,-7.94,;5.2,4.38,;6.53,3.61,;5.2,5.92,;6.53,6.69,;6.53,8.23,;7.87,9,;9.2,8.23,;9.2,6.69,;7.87,10.54,;6.53,11.31,;6.53,12.85,;5.2,10.54,;5.2,9,;3.86,8.23,)|
Structure:
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