Reaction Details Report a problem with these data
Target
Sphingolipid delta(4)-desaturase DES1
Ligand
BDBM523252
Substrate
n/a
Meas. Tech.
Des1 Activity Assays
IC50
1.000±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:
BDBM523252
Synonyms:
(1r,4r)-4-(4- chlorophenyl)- N-(5-hydroxy- pyridin-2-yl)- cyclohexane-1- carboxamide | US11135207, Example 32
Type:
Small organic molecule
Emp. Form.:
C18H19ClN2O2
Mol. Mass.:
330.809
SMILES:
Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)nc1 |r,wU:8.7,wD:11.14,(8,3.85,;6.67,3.08,;5.33,3.85,;4,3.08,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-3.85,;-5.33,-3.85,;-4,-3.08,;5.33,.77,;6.67,1.54,)|
Structure:
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