Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM13473
Substrate
BDBM13466
Meas. Tech.
Phosphatase Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
270±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
More Info.:
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:
BDBM13473
Synonyms:
(5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}-1,2-thiazolidine-1,1,3-trione | (5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide | (S)-isothiazolidinone | IZD deriv. 5 | Isothiazolidinone (IZD) deriv. 2
Type:
Small organic molecule
Emp. Form.:
C25H21N5O3S2
Mol. Mass.:
503.596
SMILES:
O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
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