Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase EZH2 [Y641F]
Ligand
BDBM516852
Substrate
n/a
Meas. Tech.
In Vitro Methyltransferase Activity Assay
IC50
5.00±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:
BDBM516852
Synonyms:
US11104664, Compound P-23
Type:
Small organic molecule
Emp. Form.:
C29H42N6O2
Mol. Mass.:
506.6828
SMILES:
CCN(C1CCC(CC1)N(C)C)c1c(CC)c(cc2n(C)ncc12)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.21,-.89,;1.12,.2,;-.37,-.2,;-.77,-1.69,;-2.25,-2.09,;-2.65,-3.57,;-1.56,-4.66,;-.08,-4.26,;.32,-2.78,;-1.96,-6.15,;-.87,-7.24,;-3.45,-6.55,;-1.46,.89,;-1.06,2.38,;.43,2.78,;1.52,1.69,;-2.15,3.47,;-3.63,3.07,;-4.03,1.58,;-5.41,.88,;-6.78,1.58,;-5.16,-.64,;-3.64,-.88,;-2.94,.49,;-1.75,4.95,;-2.84,6.04,;-.26,5.35,;.83,4.26,;2.32,4.66,;3.4,3.57,;3.01,2.09,;4.89,3.97,;5.29,5.46,;6.78,5.86,;4.2,6.55,;2.71,6.15,;1.62,7.24,)|
Structure:
Search PDB for entries with ligand similarity: