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Target
Mannose-6-phosphate isomerase
Ligand
BDBM44445
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
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:
BDBM44445
Synonyms:
3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylcarbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one | 3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one | 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-(1,3-benzodioxol-5-ylmethyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one | 7-(piperidine-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one | MLS000095530 | SMR000031083 | cid_3237126
Type:
Small organic molecule
Emp. Form.:
C22H21N3O4S
Mol. Mass.:
423.485
SMILES:
O=C(N1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O