Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM53591
Substrate
n/a
Meas. Tech.
HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.
IC50
50000±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:
BDBM53591
Synonyms:
1-(3,4-Dimethyl-phenyl)-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione | 1-(3,4-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione | 1-(3,4-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione | 1-(3,4-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone | MLS000528823 | SMR000121298 | cid_2873851
Type:
Small organic molecule
Emp. Form.:
C14H14N4O2S
Mol. Mass.:
302.352
SMILES:
Cc1ccc(cc1C)-n1c(O)cc(Sc2nnc[nH]2)c1O
Structure:
Search PDB for entries with ligand similarity: