Reaction Details Report a problem with these data
Target
Sorbitol dehydrogenase
Ligand
BDBM50113492
Substrate
n/a
Meas. Tech.
ChEMBL_201007 (CHEMBL801928)
IC50
227±n/a nM
Citation
 Chu-Moyer, MY; Ballinger, WE; Beebe, DA; Coutcher, JB; Day, WW; Li, J; Oates, PJ; Weekly, RM SAR and species/stereo-selective metabolism of the sorbitol dehydrogenase inhibitor, CP-470,711. Bioorg Med Chem Lett 12:1477-80 (2002) [PubMed]  Article 
Target
Name:
Sorbitol dehydrogenase
Synonyms:
DHSO_RAT | Sord | Sdh1
Type:
PROTEIN
Mol. Mass.:
38239.67
Organism:
Rat
Description:
ChEMBL_223914
Residue:
357
Sequence:
MAAPAKGENLSLVVHGPGDIRLENYPIPELGPNDVLLKMHSVGICGSDVHYWEHGRIGDFVVKKPMVLGHEAAGTVTKVGPMVKHLKPGDRVAIEPGVPREIDEFCKIGRYNLTPSIFFCATPPDDGNLCRFYKHSADFCYKLPDSVTFEEGALIEPLSVGIYACRRGSVSLGNKVLVCGAGPIGIVTLLVAKAMGASQVVVIDLSASRLAKAKEVGADFTIQVAKETPHDIAKKVESVLGSKPEVTIECTGAESSVQTGIYATHSGGTLVVVGMGPEMINLPLVHAAVREVDIKGVFRYCNTWPMAVSMLASKTLNVKPLVTHRFPLEKAVEAFETAKKGLGLKVMIKCDPNDQNP
  
Inhibitor
Name:
BDBM50113492
Synonyms:
1-{4-[(3S,5R)-4-(2-Acetyl-pyrimidin-4-yl)-3,5-dimethyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanone | CHEMBL277816
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H]1CN(C[C@@H](C)N1c1ccnc(n1)C(C)=O)c1ccnc(n1)C(C)=O
Structure:
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