ABD957
ABHD17B IC50 0.20(0.15-0.26) microM ; LYPLA1 IC50 >10 microM
General
Type : Trifluoro,Sulfur Compound,Sulfonamide,Piperazine,Pyrazole,Azabicyclo
Chemical_Nomenclature : 2-[8-[2-[[(3S)-4-[3-(dimethylsulfamoyl)pyrazole-1-carbonyl]-3-methylpiperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]acetic acid
Canonical SMILES : CC1CN(CCN1C(=O)N2C=CC(=N2)S(=O)(=O)N(C)C)CC3=C(C=C(C=C3)C(F)(F)F)N4C5CCC4CN(C5)CC(=O)O
InChI : InChI=1S\/C27H36F3N7O5S\/c1-18-13-33(10-11-35(18)26(40)36-9-8-24(31-36)43(41,42)32(2)3)14-19-4-5-20(27(28,29)30)12-23(19)37-21-6-7-22(37)16-34(15-21)17-25(38)39\/h4-5,8-9,12,18,21-22H,6-7,10-11,13-17H2,1-3H3,(H,38,39)\/t18-,21?,22?\/m0\/s1
InChIKey : ISNXAOFEMNFJCO-XTWGIRIWSA-N
Other name(s) : Compound 5 Remsberg et al.
MW : 627.7
Formula : C27H36F3N7O5S
CAS_number :
PubChem : 155803788
UniChem : ISNXAOFEMNFJCO-XTWGIRIWSA-N
IUPHAR :
Wikipedia :
Target
Families : ABD957 ligand of proteins in family: ABHD17-depalmitoylase
Stucture :
Protein : human-ABHD17B
References (1)
| Title : ABHD17 regulation of plasma membrane palmitoylation and N-Ras-dependent cancer growth - Remsberg_2021_Nat.Chem.Biol__ |
| Author(s) : Remsberg JR , Suciu RM , Zambetti NA , Hanigan TW , Firestone AJ , Inguva A , Long A , Ngo N , Lum KM , Henry CL , Richardson SK , Predovic M , Huang B , Dix MM , Howell AR , Niphakis MJ , Shannon K , Cravatt BF |
| Ref : Nat Chemical Biology , : , 2021 |
| Abstract : Remsberg_2021_Nat.Chem.Biol__ |
| ESTHER : Remsberg_2021_Nat.Chem.Biol__ |
| PubMedSearch : Remsberg_2021_Nat.Chem.Biol__ |
| PubMedID: 33927411 |
| Gene_locus related to this paper: human-ABHD17A , human-ABHD17B , human-ABHD17C |