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Target
Mannose-6-phosphate isomerase
Ligand
BDBM44450
Substrate
n/a
Meas. Tech.
ChEMBL_747525 (CHEMBL1777059)
IC50
6000±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:
BDBM44450
Synonyms:
(3,5-dimethylpyrazol-1-yl)methyl-[4-(trifluoromethyl)thiazol-2-yl]amine | MLS000085296 | N-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-(trifluoromethyl)-2-thiazolamine | N-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine | N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine | SMR000020034 | cid_3244409
Type:
Small organic molecule
Emp. Form.:
C10H11F3N4S
Mol. Mass.:
276.281
SMILES:
Cc1cc(C)n(CNc2nc(cs2)C(F)(F)F)n1
Structure:
Search PDB for entries with ligand similarity: