Ki Summary

Reaction Details

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Target

Tyrosine-protein phosphatase non-receptor type 1

Ligand

BDBM50362839

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1754336 (CHEMBL4189096)

IC50

37900±n/a nM

Citation

Zhang, J; Sasaki, T; Li, W; Nagata, K; Higai, K; Feng, F; Wang, J; Cheng, M; Koike, K Identification of caffeoylquinic acid derivatives as natural protein tyrosine phosphatase 1B inhibitors from Artemisia princeps. Bioorg Med Chem Lett28:1194-1197 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein phosphatase non-receptor type 1

Name:

Tyrosine-protein phosphatase non-receptor type 1

Synonyms:

Type:

Protein phosphatase

Mol. Mass.:

49963.76

Organism:

Homo sapiens (Human)

Description:

Human recombinant GST-fusion PTP1B (1-435).

Residue:

435

Sequence:

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLH
QEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLK
CAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWP
DFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKD
PSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLE
PPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYG
IESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLT
AGAYLCYRFLFNSNT

BDBM50362839

n/a

Name

BDBM50362839

Synonyms:

CHEMBL249447

Type

Small organic molecule

Emp. Form.

C25H24O12

Mol. Mass.

516.4509

SMILES

O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|

Structure