Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM14290
Substrate
BDBM13466
Meas. Tech.
Phosphatase Inhibition Assay
IC50
410±n/a nM
Citation
 Sparks, RB; Polam, P; Zhu, W; Crawley, ML; Takvorian, A; McLaughlin, E; Wei, M; Ala, PJ; Gonneville, L; Taylor, N; Li, Y; Wynn, R; Burn, TC; Liu, PC; Combs, AP Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett 17:736-40 (2007) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Synonyms:
PTN1_HUMAN | PTP-1B | PTP1B | PTPN1 | PTPase 1B | Protein-Tyrosine Phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase, non-receptor type 1
Type:
Enzyme
Mol. Mass.:
34670.65
Organism:
Homo sapiens (Human)
Description:
The catalytic domain of PTP 1B (residues 1-298) was expressed and purified from E. coli.
Residue:
298
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
  
Inhibitor
Name:
BDBM14290
Synonyms:
5-{4-[(2S)-2-(1,3-benzothiazol-2-ylamino)-2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1,2-thiazolidine-1,1,3-trione | IZD deriv. 26
Type:
Small organic molecule
Emp. Form.:
C25H20ClN5O3S2
Mol. Mass.:
538.041
SMILES:
Clc1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13466
Synonyms:
4-Nitrophenyl phosphate disodium salt hexahydrate | 4-nitrophenyl phosphate (pNPP) | disodium (4-nitrophenyl) phosphate | para-nitrophenyl phosphate (pNPP)
Type:
Small organic molecule
Emp. Form.:
C6H4NO6P
Mol. Mass.:
217.0739
SMILES:
[O-][N+](=O)c1ccc(O[P+]([O-])([O-])[O-])cc1
Structure:
Search PDB for entries with ligand similarity: