Ki Summary

Reaction Details

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Target

Tyrosine-protein phosphatase non-receptor type 1 [1-298]

Ligand

BDBM13474

Substrate/Competitor

BDBM13466

Meas. Tech.

Phosphatase Inhibition Assay

7±n/a

Temperature

295.15±n/a K

IC50

110±n/a nM

Citation

Ala, PJ; Gonneville, L; Hillman, M; Becker-Pasha, M; Yue, EW; Douty, B; Wayland, B; Polam, P; Crawley, ML; McLaughlin, E; Sparks, RB; Glass, B; Takvorian, A; Combs, AP; Burn, TC; Hollis, GF; Wynn, R Structural insights into the design of nonpeptidic isothiazolidinone-containing inhibitors of protein-tyrosine phosphatase 1B. J Biol Chem281:38013-21 (2006) [PubMed] Article

More Info.:

Get all data from this article, Inhibition_Run data, Solution Info, Assay Method

Tyrosine-protein phosphatase non-receptor type 1 [1-298]

Name:

Tyrosine-protein phosphatase non-receptor type 1 [1-298]

Synonyms:

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:

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLH
QEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLK
CAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWP
DFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKD
PSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED

BDBM13474

BDBM13466

Name

BDBM13474

Synonyms:

2,2,2-trifluoro-N-[(1S)-1-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]-2-{4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl}ethyl]acetamide | Isothiazolidinone (IZD) deriv. 3 | N-{(1S)-2-[4-(1,1-dioxido-3-oxoisothiazolidin-5-yl)phenyl]-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide

Type

Small organic molecule

Emp. Form.

C21H16F6N4O4S

Mol. Mass.

534.432

SMILES

FC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccc(cc2[nH]1)C(F)(F)F |r|

Structure