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Target
Sorbitol dehydrogenase
Ligand
BDBM50118706
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 
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:
BDBM50118706
Synonyms:
(S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol | 1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol | CHEMBL136900
Type:
Small organic molecule
Emp. Form.:
C21H32N8O
Mol. Mass.:
412.5318
SMILES:
C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)N1CCN(C)CC1
Structure:
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