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Target
N-lysine methyltransferase KMT5A
Ligand
BDBM50548177
Substrate
n/a
Meas. Tech.
ChEMBL_2020039 (CHEMBL4673852)
IC50
804±n/a nM
Citation
 Butler, KV; Ma, A; Yu, W; Li, F; Tempel, W; Babault, N; Pittella-Silva, F; Shao, J; Wang, J; Luo, M; Vedadi, M; Brown, PJ; Arrowsmith, CH; Jin, J Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J Med Chem 59:9881-9889 (2016) [PubMed]
Target
Name:
N-lysine methyltransferase KMT5A
Synonyms:
KMT5A | KMT5A_HUMAN | N-lysine methyltransferase SETD8 | PRSET7 | SET domain-containing protein 8 (SetD8) | SET07 | SET8 | SETD8
Type:
Enzyme
Mol. Mass.:
42919.11
Organism:
Homo sapiens (Human)
Description:
Q9NQR1
Residue:
393
Sequence:
MGEGGAAAALVAAAAAAAAAAAAVVAGQRRRRLGRRARCHGPGRAAGGKMSKPCAVEAAAAAVAATAPGPEMVERRGPGRPRTDGENVFTGQSKIYSYMSPNKCSGMRFPLQEENSVTHHEVKCQGKPLAGIYRKREEKRNAGNAVRSAMKSEEQKIKDARKGPLVPFPNQKSEAAEPPKTPPSSCDSTNAAIAKQALKKPIKGKQAPRKKAQGKTQQNRKLTDFYPVRRSSRKSKAELQSEERKRIDELIESGKEEGMKIDLIDGKGRGVIATKQFSRGDFVVEYHGDLIEITDAKKREALYAQDPSTGCYMYYFQYLSKTYCVDATRETNRLGRLINHSKCGNCQTKLHDIDGVPHLILIASRDIAAGEELLYDYGDRSKASIEAHPWLKH
  
Inhibitor
Name:
BDBM50548177
Synonyms:
CHEMBL4791952
Type:
Small organic molecule
Emp. Form.:
C20H27N5O3
Mol. Mass.:
385.4601
SMILES:
COc1cc2nc(nc(NCCCNC(=O)C=C)c2cc1OC)N1CCCC1
Structure:
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