Reaction Details Report a problem with these data
Target
Sorbitol dehydrogenase
Ligand
BDBM50118710
Substrate
n/a
Meas. Tech.
ChEMBL_223910 (CHEMBL844302)
IC50
4±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_HUMAN | L-iditol 2-dehydrogenase | SORD
Type:
PROTEIN
Mol. Mass.:
38332.20
Organism:
Homo sapiens (Human)
Description:
ChEMBL_223910
Residue:
357
Sequence:
MAAAAKPNNLSLVVHGPGDLRLENYPIPEPGPNEVLLRMHSVGICGSDVHYWEYGRIGNFIVKKPMVLGHEASGTVEKVGSSVKHLKPGDRVAIEPGAPRENDEFCKMGRYNLSPSIFFCATPPDDGNLCRFYKHNAAFCYKLPDNVTFEEGALIEPLSVGIHACRRGGVTLGHKVLVCGAGPIGMVTLLVAKAMGAAQVVVTDLSATRLSKAKEIGADLVLQISKESPQEIARKVEGQLGCKPEVTIECTGAEASIQAGIYATRSGGNLVLVGLGSEMTTVPLLHAAIREVDIKGVFRYCNTWPVAISMLASKSVNVKPLVTHRFPLEKALEAFETFKKGLGLKIMLKCDPSDQNP
Inhibitor
Name:
BDBM50118710
Synonyms:
1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol | CHEMBL136420
Type:
Small organic molecule
Emp. Form.:
C21H28N8O
Mol. Mass.:
408.5
SMILES:
C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)-n1cc(C)nc1C