Reaction Details Report a problem with these data
Target
N-terminal Xaa-Pro-Lys N-methyltransferase 1
Ligand
BDBM50593123
Substrate
n/a
Meas. Tech.
ChEMBL_2207102 (CHEMBL5119810)
Kd
160±n/a nM
Citation
 Dong, G; Deng, Y; Yasgar, A; Yadav, R; Talley, D; Zakharov, AV; Jain, S; Rai, G; Noinaj, N; Simeonov, A; Huang, R Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner. J Med Chem 65:12334-12345 (2022) [PubMed] 
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:
BDBM50593123
Synonyms:
GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 | Genz-682452 | Genz-682452-AA | Gz402671 | Ibiglustat | SAR-402671 | SAR402671 | VENGLUSTAT | Venglustat
Type:
Small organic molecule
Emp. Form.:
C20H24FN3O2S
Mol. Mass.:
389.487
SMILES:
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)|
Structure:
Search PDB for entries with ligand similarity: