Reaction Details Report a problem with these data
Target
N-lysine methyltransferase KMT5A
Ligand
BDBM50201571
Substrate
n/a
Meas. Tech.
ChEMBL_1623119 (CHEMBL3865471)
IC50
330±n/a nM
Citation
 Judge, RA; Zhu, H; Upadhyay, AK; Bodelle, PM; Hutchins, CW; Torrent, M; Marin, VL; Yu, W; Vedadi, M; Li, F; Brown, PJ; Pappano, WN; Sun, C; Petros, AM Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8. ACS Med Chem Lett 7:1102-1106 (2016) [PubMed]  Article 
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:
BDBM50201571
Synonyms:
CHEMBL3934996
Type:
Small organic molecule
Emp. Form.:
C49H90N20O10
Mol. Mass.:
1119.3669
SMILES:
CCCCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
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