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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50243239
Substrate
n/a
Meas. Tech.
ChEMBL_491985 (CHEMBL951535)
Ki
3300±n/a nM
Citation
 Hussain, M; Ahmed, V; Hill, B; Ahmed, Z; Taylor, SD A re-examination of the difluoromethylenesulfonic acid group as a phosphotyrosine mimic for PTP1B inhibition. Bioorg Med Chem 16:6764-77 (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:
BDBM50243239
Synonyms:
{2-Bromo-4-[40-bromo-30-(difluorosulfamoylmethyl)biphenyl-4-ylmethylsulfanylmethyl]-phenyl}difluoromethanesulfonicacid
Type:
Small organic molecule
Emp. Form.:
C22H16Br2F4NO5S3
Mol. Mass.:
706.363
SMILES:
NS(=O)(=O)C(F)(F)c1cc(ccc1Br)-c1ccc(CSCc2ccc(c(Br)c2)C(F)(F)S([O-])(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: