SR-3133
ABHD5 IC50 39.841 microM poor inhibitor
General
Type : Piperazine,Sulfur Compound,Sulfonamide,Benzofuran
Chemical_Nomenclature : 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
Canonical SMILES : C1CN(CCN1C(=O)CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4
InChI : InChI=1S\/C20H21FN2O5S\/c21-16-3-1-2-15(12-16)13-20(24)22-6-8-23(9-7-22)29(25,26)17-4-5-18-19(14-17)28-11-10-27-18\/h1-5,12,14H,6-11,13H2
InChIKey : MDVGXYSKLGLAFF-UHFFFAOYSA-N
Other name(s) : SR-03000003133,SR3133,HMS1744C10,ZINC6974632,AKOS034089081,MCULE-7736502356
MW : 420.5
Formula : C20H21FN2O5S
CAS_number :
PubChem : 4827533
UniChem : MDVGXYSKLGLAFF-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SR-3133 ligand of proteins in family: CGI-58_ABHD5_ABHD4
Stucture :
Protein : human-ABHD5 || mouse-abhd5
References (1)
| Title : Molecular Modeling of ABHD5 Structure and Ligand Recognition - Shahoei_2022_Front.Mol.Biosci_9_935375 |
| Author(s) : Shahoei R , Pangeni S , Sanders MA , Zhang H , Mladenovic-Lucas L , Roush WR , Halvorsen G , Kelly CV , Granneman JG , Huang YM |
| Ref : Front Mol Biosci , 9 :935375 , 2022 |
| Abstract : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| ESTHER : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| PubMedSearch : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| PubMedID: 35836935 |
| Gene_locus related to this paper: human-ABHD5 , mouse-abhd5 |