Reaction Details Report a problem with these data
Target
Sphingolipid delta(4)-desaturase DES1
Ligand
BDBM523249
Substrate
n/a
Meas. Tech.
Des1 Activity Assays
IC50
5.00±n/a nM
Citation
 Romero, DL; McCall, JM; Blitzer, J Inhibitors of dihydroceramide desaturase for treating disease US Patent  US11135207 Publication Date 10/5/2021 
Target
Name:
Sphingolipid delta(4)-desaturase DES1
Synonyms:
Cell migration-inducing gene 15 protein | DEGS1 | DEGS1_HUMAN | DES1 | Degenerative spermatocyte homolog 1 | MLD | Membrane lipid desaturase
Type:
PROTEIN
Mol. Mass.:
37872.63
Organism:
Homo sapiens (Human)
Description:
ChEMBL_816893
Residue:
323
Sequence:
MGSRVSREDFEWVYTDQPHADRRREILAKYPEIKSLMKPDPNLIWIIIMMVLTQLGAFYIVKDLDWKWVIFGAYAFGSCINHSMTLAIHEIAHNAAFGNCKAMWNRWFGMFANLPIGIPYSISFKRYHMDHHRYLGADGVDVDIPTDFEGWFFCTAFRKFIWVILQPLFYAFRPLFINPKPITYLEVINTVAQVTFDILIYYFLGIKSLVYMLAASLLGLGLHPISGHFIAEHYMFLKGHETYSYYGPLNLLTFNVGYHNEHHDFPNIPGKSLPLVRKIAAEYYDNLPHYNSWIKVLYDFVMDDTISPYSRMKRHQKGEMVLE
  
Inhibitor
Name:
BDBM523249
Synonyms:
(1r,4r)-N-(5- hydroxy- pyridin-2-yl)- 4-phenyl- cyclohexane- 1- carboxamide | US11135207, Example 28
Type:
Small organic molecule
Emp. Form.:
C18H20N2O2
Mol. Mass.:
296.3636
SMILES:
Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)nc1 |r,wU:8.7,wD:11.14,(7.34,3.85,;6,3.08,;4.67,3.85,;3.33,3.08,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;4.67,.77,;6,1.54,)|
Structure:
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