Target
Sorbitol dehydrogenase
Ligand
BDBM50108736
Substrate
n/a
Meas. Tech.
ChEMBL_201003 (CHEMBL801253)
IC50
120±n/a nM
Citation
 Chu-Moyer, MYBallinger, WEBeebe, DABerger, RCoutcher, JBDay, WWLi, JMylari, BLOates, PJWeekly, RM Orally-effective, long-acting sorbitol dehydrogenase inhibitors: synthesis, structure-activity relationships, and in vivo evaluations of novel heterocycle-substituted piperazino-pyrimidines. J Med Chem 45:511-28 (2002) [PubMed]  Article 
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:
BDBM50108736
Synonyms:
CHEMBL357712 | [4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol
Type:
Small organic molecule
Emp. Form.:
C16H17N5O2
Mol. Mass.:
311.3385
SMILES:
OCc1nccc(n1)N1CCN(CC1)c1noc2ccccc12
Structure:
Search PDB for entries with ligand similarity: