Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM45773
Substrate
n/a
Meas. Tech.
ChEMBL_1448919 (CHEMBL3375686)
IC50
2300±n/a nM
Citation
Bravo, Y; Teriete, P; Dhanya, RP; Dahl, R; Lee, PS; Kiffer-Moreira, T; Ganji, SR; Sergienko, E; Smith, LH; Farquharson, C; Millán, JL; Cosford, ND Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett 24:4308-11 (2014) [PubMed] Article
More Info.:
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:
BDBM45773
Synonyms:
3-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(phenylmethyl)benzamide | 3-(3-oxo-1,2-benzothiazol-2-yl)-N-(phenylmethyl)benzamide | AB00540134 | N-benzyl-3-(3-keto-1,2-benzothiazol-2-yl)benzamide | N-benzyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide | cid_16749997
Type:
Small organic molecule
Emp. Form.:
C21H16N2O2S
Mol. Mass.:
360.429
SMILES:
O=C(NCc1ccccc1)c1cccc(c1)-n1sc2ccccc2c1=O