Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50450009
Substrate
n/a
Meas. Tech.
ChEMBL_1886958 (CHEMBL4388635)
IC50
9400±n/a nM
Citation
 Washburn, A; Abdeen, S; Ovechkina, Y; Ray, AM; Stevens, M; Chitre, S; Sivinski, J; Park, Y; Johnson, J; Hoang, QQ; Chapman, E; Parish, T; Johnson, SM Dual-targeting GroEL/ES chaperonin and protein tyrosine phosphatase B (PtpB) inhibitors: A polypharmacology strategy for treating Mycobacterium tuberculosis infections. Bioorg Med Chem Lett 29:1665-1672 (2019) [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:
BDBM50450009
Synonyms:
CHEMBL4161583
Type:
Small organic molecule
Emp. Form.:
C23H14Cl2N4O7S3
Mol. Mass.:
625.49
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Structure:
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