Reaction Details Report a problem with these data
Target
S-methyl-5'-thioadenosine phosphorylase
Ligand
BDBM22112
Substrate
BDBM22111
Meas. Tech.
MTAP/MTAN Inhibition Assay
pH
7.0000±n/a
Temperature
295.1500±n/a K
Ki
2.0±0.1 nM
Km
5000.0000±n/a nM
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:
S-methyl-5'-thioadenosine phosphorylase
Synonyms:
5'-Methylthioadenosine phosphorylase (MTAP) | S-methyl-5 -thioadenosine phosphorylase | MTA phosphorylase | MTAPase | MTAP_HUMAN | MTAP | MSAP | Methylthioadenosine Phosphorylase (MTAP)
Type:
Enzyme
Mol. Mass.:
31239.23
Organism:
Human
Description:
n/a
Residue:
283
Sequence:
MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH
  
Inhibitor
Name:
BDBM22112
Synonyms:
7-({3-[(methylsulfanyl)methyl]azetidin-1-yl}methyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine | Azetidine based compound, 44
Type:
Small organic molecule
Emp. Form.:
C12H17N5S
Mol. Mass.:
263.12
SMILES:
CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22111
Synonyms:
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | CHEMBL277041 | 5-methylthioadenosine | 5'-Methylthioado | (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol | MTA
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H15N5O3S
Mol. Mass.:
297.09
SMILES:
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Structure:
Search PDB for entries with ligand similarity: