ZINC24092691
ZINC24092691 with an IC50 value of 10 nM.
General
Type : Pyrrolidine, Benzothiazol, Sulfur Compound, Triazol
Chemical_Nomenclature : N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
Canonical SMILES : C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4
InChI : InChI=1S\/C21H15N5OS\/c27-20(13-26-18-7-3-1-5-16(18)24-25-26)22-15-11-9-14(10-12-15)21-23-17-6-2-4-8-19(17)28-21\/h1-12H,13H2,(H,22,27)
InChIKey : BBSLAQYFSFJLDI-UHFFFAOYSA-N
Other name(s) : CHEMBL3318318, 1014580-58-5, BDBM50049456, MFCD10209041, NSC780558
MW : 385.4
Formula : C21H15N5OS
CAS_number :
PubChem : 24458062
UniChem : BBSLAQYFSFJLDI-UHFFFAOYSA-N
Target
Families : ZINC24092691 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
References (1)
| Title : Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors - Afzal_2014_Bioorg.Med.Chem.Lett_24_3986 |
| Author(s) : Afzal O , Kumar S , Kumar R , Firoz A , Jaggi M , Bawa S |
| Ref : Bioorganic & Medicinal Chemistry Lett , 24 :3986 , 2014 |
| PubMedID: 25011912 |