Reaction Details Report a problem with these data
Target
Sorbitol dehydrogenase
Ligand
BDBM50118707
Substrate
n/a
Meas. Tech.
ChEMBL_223917 (CHEMBL846063)
IC50
39±n/a nM
Citation
Mylari, BL; Oates, PJ; Zembrowski, WJ; Beebe, DA; Conn, EL; Coutcher, JB; O'Gorman, MT; Linhares, MC; Withbroe, GJ A sorbitol dehydrogenase inhibitor of exceptional in vivo potency with a long duration of action: 1-(R)-[4-[4-(4,6-dimethyl[1,3,5]triazin-2-yl)- 2R,6S-dimethylpiperazin-1-yl]pyrimidin-2- yl]ethanol. J Med Chem 45:4398-401 (2002) [PubMed] Article
More Info.:
Target
Name:
Sorbitol dehydrogenase
Synonyms:
DHSO_RAT | Sdh1 | Sord
Type:
PROTEIN
Mol. Mass.:
38239.67
Organism:
Rat
Description:
ChEMBL_223914
Residue:
357
Sequence:
MAAPAKGENLSLVVHGPGDIRLENYPIPELGPNDVLLKMHSVGICGSDVHYWEHGRIGDFVVKKPMVLGHEAAGTVTKVGPMVKHLKPGDRVAIEPGVPREIDEFCKIGRYNLTPSIFFCATPPDDGNLCRFYKHSADFCYKLPDSVTFEEGALIEPLSVGIYACRRGSVSLGNKVLVCGAGPIGIVTLLVAKAMGASQVVVIDLSASRLAKAKEVGADFTIQVAKETPHDIAKKVESVLGSKPEVTIECTGAESSVQTGIYATHSGGTLVVVGMGPEMINLPLVHAAVREVDIKGVFRYCNTWPMAVSMLASKTLNVKPLVTHRFPLEKAVEAFETAKKGLGLKVMIKCDPNDQNP
Inhibitor
Name:
BDBM50118707
Synonyms:
1-{4-[2,6-Dimethyl-4-(4-methyl-6-phenyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol | CHEMBL139187
Type:
Small organic molecule
Emp. Form.:
C22H27N7O
Mol. Mass.:
405.4961
SMILES:
C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)nc(n1)-c1ccccc1