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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50224539
Substrate
n/a
Meas. Tech.
ChEMBL_458313 (CHEMBL925644)
IC50
382000±n/a nM
Citation
 Adams, DR; Abraham, A; Asano, J; Breslin, C; Dick, CA; Ixkes, U; Johnston, BF; Johnston, D; Kewnay, J; Mackay, SP; MacKenzie, SJ; McFarlane, M; Mitchell, L; Spinks, D; Takano, Y 2-Aryl-3,3,3-trifluoro-2-hydroxypropionic acids: a new class of protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett 17:6579-83 (2007) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B)
Type:
Protein phosphatase
Mol. Mass.:
49963.76
Organism:
Homo sapiens (Human)
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
  
Inhibitor
Name:
BDBM50224539
Synonyms:
2-(6-(benzyloxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid | CHEMBL404412
Type:
Small organic molecule
Emp. Form.:
C20H18F3NO5
Mol. Mass.:
409.3558
SMILES:
COCn1cc(c2ccc(OCc3ccccc3)cc12)C(O)(C(O)=O)C(F)(F)F |w:20.23|
Structure:
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