Reaction Details
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Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50061979
Substrate
n/a
Meas. Tech.
ChEMBL_1462104 (CHEMBL3396811)
IC50
251±n/a nM
Citation
Abdel-Magid, AF The role of enhancer of zeste homologue 2 inhibitors in controlling epigenetics and their potential for cancer treatment. ACS Med Chem Lett 6:108-9 (2015) [PubMed] Article More Info.:
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:
BDBM50061979
Synonyms:
CHEMBL3394230
Type:
Small organic molecule
Emp. Form.:
C28H36ClN3O3
Mol. Mass.:
498.057
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Oc1cc(Cl)cc2c1C\C=C\CCCc1cc(C)[nH]c(=O)c1CNC2=O |r,wU:6.9,wD:3.2,t:20,(-10.79,-6.94,;-9.75,-7.55,;-9.76,-8.76,;-8.44,-6.81,;-7.14,-7.56,;-5.83,-6.81,;-5.82,-5.31,;-7.13,-4.55,;-8.44,-5.3,;-4.52,-4.55,;-4.51,-3.05,;-5.85,-2.26,;-5.85,-.72,;-6.89,-.12,;-4.51,.04,;-3.18,-.72,;-3.18,-2.26,;-1.83,-3.05,;-.46,-2.25,;.86,-3.03,;2.2,-2.25,;2.2,-.71,;3.56,.07,;3.56,1.61,;4.91,2.38,;4.91,3.93,;5.95,4.54,;3.56,4.7,;2.22,3.93,;1.18,4.53,;2.22,2.38,;.86,1.6,;.12,-.35,;-1.81,.05,;-2,1.24,)|
Structure:
