Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM53638
Substrate
n/a
Meas. Tech.
HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.
IC50
33872±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:
BDBM53638
Synonyms:
3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5-methyl-isothiazole-4-carbonitrile | 5-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazole-4-carbonitrile | 5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile | 5-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile | 5-methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile | MLS000695018 | SMR000334646 | cid_3755886
Type:
Small organic molecule
Emp. Form.:
C13H9N3O3S2
Mol. Mass.:
319.359
SMILES:
Cc1snc(SCC(=O)c2ccc(cc2)[N+]([O-])=O)c1C#N
Structure:
Search PDB for entries with ligand similarity: