BysspectinA-cpd9dderivative
hCES2 IC50 0.12 nM || hCES2 IC50 = 0.12 nM Ki = 0.43 nM
General
Type : Carbamate, Natural_modified, Benzofuran
Chemical_Nomenclature :
Canonical SMILES : C1=CC=C2C(=C1C(=O)CCCCCCCC)C=C(O2)C3=CC(=CC=C3OC(=O)N4CCCC4)OC
InChI : InChI=1S\/C29H35NO5\/c1-3-4-5-6-7-8-13-25(31)22-12-11-14-26-23(22)20-28(34-26)24-19-21(33-2)15-16-27(24)35-29(32)30-17-9-10-18-30\/h11-12,14-16,19-20H,3-10,13,17-18H2,1-2H3
InChIKey : XFBJUMZGUOUWSC-UHFFFAOYSA-N
Other name(s) : Compound 9d
Target
Families : BysspectinA-cpd9dderivative ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES2
References (1)
| Title : Discovery of a Novel Serine-Targeting Covalent Inhibitor against HCES2A for Treating Drug-induced Diarrhea and Ulcerative Colitis - Hu_2025_J.Med.Chem__ |
| Author(s) : Hu D , Zeng H , Li W , Zhang Y , Chi X , Liu X , Zhang H , Ge G , Jiao X , Xie P |
| Ref : Journal of Medicinal Chemistry , : , 2025 |
| Abstract : |
| PubMedSearch : Hu_2025_J.Med.Chem__ |
| PubMedID: 40396776 |