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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50443464
Substrate
n/a
Meas. Tech.
ChEMBL_1274668 (CHEMBL3090067)
IC50
8200±n/a nM
Citation
 Rakse, M; Karthikeyan, C; Deora, GS; Moorthy, NS; Rathore, V; Rawat, AK; Srivastava, AK; Trivedi, P Design, synthesis and molecular modelling studies of novel 3-acetamido-4-methyl benzoic acid derivatives as inhibitors of protein tyrosine phosphatase 1B. Eur J Med Chem 70:469-76 (2013) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1
Synonyms:
Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B) | Protein tyrosine phosphatase 1B (PTP1B) | PTN1_HUMAN | PTPN1 | PTP1B | Protein-tyrosine phosphatase 1B
Type:
Protein phosphatase
Mol. Mass.:
49963.76
Organism:
Human
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
  
Inhibitor
Name:
BDBM50443464
Synonyms:
CHEMBL259888
Type:
Small organic molecule
Emp. Form.:
C18H17N3O4S
Mol. Mass.:
371.41
SMILES:
COc1ccc2nc(SCC(=O)Nc3cc(C(=O)O)ccc3C)[nH]c2c1
Structure:
Search PDB for entries with ligand similarity: