Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM50071516
Substrate
n/a
Meas. Tech.
ChEMBL_222751 (CHEMBL846957)
Ki
4000±n/a nM
Citation
 Bhandari, A; Jones, DG; Schullek, JR; Vo, K; Schunk, CA; Tamanaha, LL; Chen, D; Yuan, Z; Needels, MC; Gallop, MA Exploring structure-activity relationships around the phosphomannose isomerase inhibitor AF14049 via combinatorial synthesis. Bioorg Med Chem Lett 8:2303-8 (1999) [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:
BDBM50071516
Synonyms:
2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-indan-2-carboxylic acid hydroxyamide | CHEMBL419459
Type:
Small organic molecule
Emp. Form.:
C20H20Cl2N2O3S
Mol. Mass.:
439.355
SMILES:
ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: