CHEMBL4561138
soluble epoxide hydrolase IC50 1.37 microM
General
Type : Benzimidazole, Sulfur Compound
Chemical_Nomenclature : 2-(1H-benzimidazol-2-ylsulfanyl)ethanol
Canonical SMILES : C1=CC=C2C(=C1)NC(=N2)SCCO
InChI : InChI=1S\/C9H10N2OS\/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9\/h1-4,12H,5-6H2,(H,10,11)
InChIKey : HFDPECWVRWDXHN-UHFFFAOYSA-N
Other name(s) : 2-(1H-benzimidazol-2-ylsulfanyl)ethanol || 2-(1H-Benzimidazol-2-ylthio)ethanol || Ethanol, 2-(1H-benzimidazol-2-ylthio)- || CHEMBL4561138 || SCHEMBL12195171 || AKOS000297064 || 6N4 || Compound 5
MW :
Formula : C9H10N2OS
CAS_number : 7673-83-8
PubChem : 146084
UniChem : HFDPECWVRWDXHN-UHFFFAOYSA-N
Target
Families : CHEMBL4561138 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (2)
| Title : Exploring serial crystallography for drug discovery - Dunge_2024_IUCrJ__ |
| Author(s) : Dunge A , Phan C , Uwangue O , Bjelcic M , Gunnarsson J , Wehlander G , Kack H , Branden G |
| Ref : IUCrJ , : , 2024 |
| Abstract : |
| PubMedSearch : Dunge_2024_IUCrJ__ |
| PubMedID: 39072424 |
| Title : Challenges of docking in large, flexible and promiscuous binding sites - Kotev_2016_Bioorg.Med.Chem_24_4961 |
| Author(s) : Kotev M , Soliva R , Orozco M |
| Ref : Bioorganic & Medicinal Chemistry , 24 :4961 , 2016 |
| Abstract : |
| PubMedSearch : Kotev_2016_Bioorg.Med.Chem_24_4961 |
| PubMedID: 27545443 |