Reaction Details Report a problem with these data
Target
N-terminal Xaa-Pro-Lys N-methyltransferase 1
Ligand
BDBM50560065
Substrate
n/a
Meas. Tech.
ChEMBL_2071320 (CHEMBL4726854)
IC50
230±n/a nM
Citation
 Mackie, BD; Chen, D; Dong, G; Dong, C; Parker, H; Schaner Tooley, CE; Noinaj, N; Min, J; Huang, R Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies. J Med Chem 63:9512-9522 (2020) [PubMed]  Article 
Target
Name:
N-terminal Xaa-Pro-Lys N-methyltransferase 1
Synonyms:
2.1.1.244 | Alpha N-terminal protein methyltransferase 1A | C9orf32 | METTL11A | Methyltransferase-like protein 11A | N-terminal RCC1 methyltransferase | N-terminal Xaa-Pro-Lys N-methyltransferase 1 | N-terminal Xaa-Pro-Lys N-methyltransferase 1, N-terminally processed | NRMT | NRMT1 | NRMT1 | NTM1A | NTM1A_HUMAN | NTMT1 | X-Pro-Lys N-terminal protein methyltransferase 1A
Type:
PROTEIN
Mol. Mass.:
25382.72
Organism:
Homo sapiens
Description:
ChEMBL_119192
Residue:
223
Sequence:
MTSEVIEDEKQFYSKAKTYWKQIPPTVDGMLGGYGHISSIDINSSRKFLQRFLREGPNKTGTSCALDCGAGIGRITKRLLLPLFREVDMVDITEDFLVQAKTYLGEEGKRVRNYFCCGLQDFTPEPDSYDVIWIQWVIGHLTDQHLAEFLRRCKGSLRPNGIIVIKDNMAQEGVILDDVDSSVCRDLDVVRRIICSAGLSLLAEERQENLPDEIYHVYSFALR
  
Inhibitor
Name:
BDBM50560065
Synonyms:
CHEMBL4777235
Type:
Small organic molecule
Emp. Form.:
C80H147N39O16
Mol. Mass.:
1911.2749
SMILES:
NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: