Inhibitor Report for: (Isoquinolin-1-ylsulfanyl)-acetic-acidGeneral | 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 |
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Target | Families | | | (Isoquinolin-1-ylsulfanyl)-acetic-acid ligand of proteins in family: Pectinacetylesterase-Notum | | Stucture | | | 1 structure: 7BN5: Human Notum comlexed with fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid) | | Protein | | | human-NOTUM |
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