Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50228012
Substrate
n/a
Meas. Tech.
ChEMBL_461676 (CHEMBL927697)
IC50
160±n/a nM
Citation
 Douty, B; Wayland, B; Ala, PJ; Bower, MJ; Pruitt, J; Bostrom, L; Wei, M; Klabe, R; Gonneville, L; Wynn, R; Burn, TC; Liu, PC; Combs, AP; Yue, EW Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines. Bioorg Med Chem Lett 18:66-71 (2008) [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:
BDBM50228012
Synonyms:
3-fluoro-N-{1-{(R)-5-[3-(3-methanesulfonyl-phenoxy)-propyl]-4,5-dihydro-1H-imidazol-2-yl}-2-[3-methyl-4-(1,1,3-trioxo-1lambda6-isothiazolidin-5-yl)-phenyl]-ethyl}-benzenesulfonamide | CHEMBL253477
Type:
Small organic molecule
Emp. Form.:
C31H35FN4O8S3
Mol. Mass.:
706.825
SMILES:
Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](CCCOc3cccc(c3)S(C)(=O)=O)N2)ccc1C1CC(=O)NS1(=O)=O |w:5.5,t:18|
Structure:
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