Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM14269
Substrate
BDBM13466
Meas. Tech.
Phosphatase Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
35±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:
BDBM14269
Synonyms:
(S)-isothiazolidinone | IZD deriv. 2 | N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl}ethyl]benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C25H24N4O5S2
Mol. Mass.:
524.612
SMILES:
Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O |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: