Reaction Details Report a problem with these data
Target
Adenosylhomocysteine nucleosidase
Ligand
BDBM22113
Substrate
BDBM22111
Meas. Tech.
MTAP/MTAN Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
Ki
24±n/a nM
Km
23000±n/a nM
Comments
Data was taken from Biochemistry 2006, 45, 12929-12941
Citation
 Evans, GB; Furneaux, RH; Greatrex, B; Murkin, AS; Schramm, VL; Tyler, PC Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases. J Med Chem 51:948-56 (2008) [PubMed]  Article 
Target
Name:
Adenosylhomocysteine nucleosidase
Synonyms:
5 -methylthioadenosine / S-adenosylhomocysteine nucleosidase | Methylthioadenosine Nucleosidase(MTAN)
Type:
Enzyme
Mol. Mass.:
24666.14
Organism:
Streptococcus pneumoniae
Description:
Q8DQ16
Residue:
230
Sequence:
MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD
  
Inhibitor
Name:
BDBM22113
Synonyms:
(3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol | (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7 | DADMe-ImmA-Me | MT-DADMe-ImmA
Type:
n/a
Emp. Form.:
C13H19N5OS
Mol. Mass.:
293.388
SMILES:
CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22111
Synonyms:
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | 5'-Methylthioado | 5-methylthioadenosine | CHEMBL277041 | MTA
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H15N5O3S
Mol. Mass.:
297.334
SMILES:
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: