Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50219586
Substrate
n/a
Meas. Tech.
ChEMBL_445832 (CHEMBL896126)
Ki
6±n/a nM
Citation
 Wilson, DPWan, ZKXu, WXKirincich, SJFollows, BCJoseph-McCarthy, DForeman, KMoretto, AWu, JZhu, MBinnun, EZhang, YLTam, MErbe, DVTobin, JXu, XLeung, LShilling, ATam, SYMansour, TSLee, J Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J Med Chem 50:4681-98 (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:
BDBM50219586
Synonyms:
4-bromo-3-(carboxymethoxy)-5-{3-[(1-{[2-(trifluoromethyl)-benzyl]sulfonyl}piperidin-4-yl)amino]phenyl}thiophene-2-carboxylic acid | CHEMBL230751
Type:
Small organic molecule
Emp. Form.:
C26H24BrF3N2O7S2
Mol. Mass.:
677.507
SMILES:
OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity: