Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50228022
Substrate
n/a
Meas. Tech.
ChEMBL_461676 (CHEMBL927697)
IC50
250±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:
BDBM50228022
Synonyms:
CHEMBL404319 | N-{1-(5-benzyl-1H-imidazol-2-yl)-2-[4-(1,1,3-trioxo-1lambda6-isothiazolidin-5-yl)-phenyl]-ethyl}-3-fluoro-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H25FN4O5S2
Mol. Mass.:
568.64
SMILES:
Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(Cc2ccccc2)[nH]1 |w:11.11|
Structure:
Search PDB for entries with ligand similarity: