Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM44457
Substrate
n/a
Meas. Tech.
ChEMBL_747525 (CHEMBL1777059)
IC50
1900±n/a nM
Citation
 Dahl, R; Bravo, Y; Sharma, V; Ichikawa, M; Dhanya, RP; Hedrick, M; Brown, B; Rascon, J; Vicchiarelli, M; Mangravita-Novo, A; Yang, L; Stonich, D; Su, Y; Smith, LH; Sergienko, E; Freeze, HH; Cosford, ND Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem 54:3661-8 (2011) [PubMed]  Article 
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:
BDBM44457
Synonyms:
(4Z)-4-[(2-methylsulfanylanilino)methylidene]-2-phenyl-1,3-oxazol-5-one | (4Z)-4-[[(2-methylsulfanylphenyl)amino]methylidene]-2-phenyl-1,3-oxazol-5-one | (4Z)-4-[[2-(methylthio)anilino]methylene]-2-phenyl-2-oxazolin-5-one | (4Z)-4-[[2-(methylthio)anilino]methylidene]-2-phenyl-5-oxazolone | MLS000108925 | SMR000104873 | cid_5310789
Type:
Small organic molecule
Emp. Form.:
C17H14N2O2S
Mol. Mass.:
310.37
SMILES:
CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1 |w:8.8|
Structure:
Search PDB for entries with ligand similarity: