Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516849
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
18.0±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:
BDBM516849
Synonyms:
US11104664, Compound P-20
Type:
Small organic molecule
Emp. Form.:
C31H46N6O3
Mol. Mass.:
550.7353
SMILES:
CCN(C1CCC(CC1)N(C)CCOC)c1c(CC)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(3.59,-2.55,;3.59,-1.01,;4.92,-.24,;6.26,-1.01,;7.59,-.24,;8.93,-1.01,;8.93,-2.55,;7.59,-3.32,;6.26,-2.55,;10.26,-3.32,;10.26,-4.86,;11.59,-2.55,;11.59,-1.01,;12.93,-.24,;14.26,-1.01,;4.92,1.3,;6.26,2.07,;7.59,1.3,;8.93,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.65,5.55,;1.22,2.84,;2.13,1.6,;3.59,2.07,;7.59,4.38,;7.59,5.92,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;10.26,1.3,;12.93,1.3,;14.26,2.07,;15.59,1.3,;14.26,3.61,;12.93,4.38,;12.93,5.92,)|
Structure:
Search PDB for entries with ligand similarity: