Type : Sulfur Compound
Chemical_Nomenclature : 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
Canonical SMILES : C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)O
InChI : InChI=1S\/C13H10O2S\/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11\/h1-4,7H,5-6H2,(H,14,15)
InChIKey : IGBRCZHGFVMFCR-UHFFFAOYSA-N
Other name(s) : 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid,CHEMBL1421818,4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid,ZINC69806,fragment_3,U4T
MW : 230.28
Formula : C13H10O2S
CAS_number : 29179-41-7
PubChem : 695450
UniChem : IGBRCZHGFVMFCR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Families : 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic-acid ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BN8 Human Notum complexed with fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid)
Protein : human-NOTUM
No reference