Reaction Details Report a problem with these data
Target
Sphingolipid delta(4)-desaturase DES1
Ligand
BDBM523258
Substrate
n/a
Meas. Tech.
Des1 Activity Assays
IC50
88.0±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:
BDBM523258
Synonyms:
(1s,4s)-N-(5- hydroxypyridin- 2-yl)-4-iso- propoxycyclo- hexane-1- carboxamide | US11135207, Example 41
Type:
Small organic molecule
Emp. Form.:
C15H22N2O3
Mol. Mass.:
278.3468
SMILES:
CC(C)O[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(O)cn1 |r,wU:7.10,4.3,(-7.34,-2.7,;-6,-1.92,;-6.4,-.44,;-4.67,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;.67,.38,;.67,1.92,;2,-.39,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.7,;6,.38,;4.67,-.39,)|
Structure:
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