Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50219583
Substrate
n/a
Meas. Tech.
ChEMBL_445832 (CHEMBL896126)
Ki
14±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:
BDBM50219583
Synonyms:
4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylamino)-carbonyl]amino}benzyl)sulfonyl]piperidin-4-yl}amino)phenyl]-thiophene-2-carboxylic acid | CHEMBL397903
Type:
Small organic molecule
Emp. Form.:
C28H31BrN4O8S2
Mol. Mass.:
695.602
SMILES:
CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Structure:
Search PDB for entries with ligand similarity: