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CHEBI:232869 - PTP1B inhibitor

ChEBI IDCHEBI:232869
ChEBI NamePTP1B inhibitor
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC22H19NO3S
Net Charge0
Average Mass377.465
Monoisotopic Mass377.10856
SMILES[H][C@@]1(C(=O)O)CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1
InChIKeyBMDMKWJIRFLEEY-SFHVURJKSA-N
Roles Classification
Biological Role:
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
ChEBI Ontology
Outgoing Relation(s)
PTP1B inhibitor (CHEBI:232869) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
PTP1B inhibitor (CHEBI:232869) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide
Synonym  Source
PTP1B-IN-4SUBMITTER
Registry NumbersSources
CAS:765317-72-4SUBMITTER
Citations