Type : Fragment inhibitor of Notum,Isoquinoline,Quinoline,Sulfur Compound
Chemical_Nomenclature : 2-isoquinolin-1-ylsulfanylacetic acid
Canonical SMILES : C1=CC=C2C(=C1)C=CN=C2SCC(=O)O
InChI : InChI=1S\/C11H9NO2S\/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11\/h1-6H,7H2,(H,13,14)
InChIKey : PISYQRRSPUEVQL-UHFFFAOYSA-N
Other name(s) : (Isoquinolin-1-ylsulfanyl)-acetic acid,(isoquinolin-1-ylsulfanyl)acetic acid,2-(isoquinolin-1-ylsulfanyl)acetic acid,2-(Isoquinolin-1-ylthio)acetic acid
MW : 219.26
Formula : C11H9NO2S
CAS_number : 7521-25-7
PubChem : 1115922
UniChem : PISYQRRSPUEVQL-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Families : (Isoquinolin-1-ylsulfanyl)-acetic-acid ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BN5 Human Notum comlexed with fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid)
Protein : human-NOTUM
No reference