Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM53611
Substrate
n/a
Meas. Tech.
HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.
IC50
48130±n/a nM
Citation
 PubChem, PC HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. PubChem Bioassay (2009)[AID] 
Target
Name:
Mannose-6-phosphate isomerase
Synonyms:
MPI | MPI protein | MPI_HUMAN | Mannose-6-phosphate isomerase | PMI1
Type:
PROTEIN
Mol. Mass.:
46651.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1448919
Residue:
423
Sequence:
MAAPRVFPLSCAVQQYAWGKMGSNSEVARLLASSDPLAQIAEDKPYAELWMGTHPRGDAKILDNRISQKTLSQWIAENQDSLGSKVKDTFNGNLPFLFKVLSVETPLSIQAHPNKELAEKLHLQAPQHYPDANHKPEMAIALTPFQGLCGFRPVEEIVTFLKKVPEFQFLIGDEAATHLKQTMSHDSQAVASSLQSCFSHLMKSEKKVVVEQLNLLVKRISQQAAAGNNMEDIFGELLLQLHQQYPGDIGCFAIYFLNLLTLKPGEAMFLEANVPHAYLKGDCVECMACSDNTVRAGLTPKFIDVPTLCEMLSYTPSSSKDRLFLPTRSQEDPYLSIYDPPVPDFTIMKTEVPGSVTEYKVLALDSASILLMVQGTVIASTPTTQTPIPLQRGGVLFIGANESVSLKLTEPKDLLIFRACCLL
  
Inhibitor
Name:
BDBM53611
Synonyms:
1-(2-methoxyphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione | 1-(2-methoxyphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione | 1-(2-methoxyphenyl)-3-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-quinone | 1-(2-methoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-2,5-pyrrolidinedione | MLS000626947 | SMR000272088 | cid_2930975
Type:
Small organic molecule
Emp. Form.:
C20H18N4O3S
Mol. Mass.:
394.447
SMILES:
COc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2cccc(C)c2)c1O |(3.08,-4.98,;4.41,-4.21,;5.75,-4.98,;5.75,-6.52,;7.08,-7.29,;8.41,-6.52,;8.41,-4.98,;7.08,-4.21,;7.08,-2.67,;8.33,-1.76,;9.79,-2.24,;7.85,-.3,;6.31,-.3,;5.41,.95,;6.03,2.36,;5.26,3.69,;6.29,4.83,;7.7,4.21,;7.54,2.68,;9.03,4.98,;9.03,6.52,;10.37,7.29,;11.7,6.52,;11.7,4.98,;13.03,4.21,;10.37,4.21,;5.84,-1.76,;4.37,-2.24,)|
Structure:
Search PDB for entries with ligand similarity: