ESTHER Database

Biological
data

ESTHER definition

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Inhibitor

Inhibitor Report for: ARUK3006560

General

Type		Fragment inhibitor of Notum, Indole, Trifluoro
Chemical_Nomenclature		methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
Canonical SMILES		COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
InChI		InChI=1S/C14H14F3NO3/c1-21-13(20)6-5-12(19)18-8-7-9-10(14(15,16)17)3-2-4-11(9)18/h2-4H,5-8H2,1H3
InChIKey		ZCVAYWXZXDNCFC-UHFFFAOYSA-N
Other name(s)		RD9

________________________________________________________________________________________________

MW	\|	301.26
Formula	\|	C14H14F3NO3
CAS_number	\|
PubChem	\|
UniChem	\|	ZCVAYWXZXDNCFC-UHFFFAOYSA-N
IUPHAR	\|
Wikipedia	\|

Target

Families	\|	ARUK3006560 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture	\|	1 structure: 8BSP: Structure of the Wnt deacylase Notum in complex with ARUK3006560
Protein	\|	human-NOTUM

References:

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