Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50219591
Substrate
n/a
Meas. Tech.
ChEMBL_445832 (CHEMBL896126)
Ki
7±n/a nM
Citation
Wilson, DP; Wan, ZK; Xu, WX; Kirincich, SJ; Follows, BC; Joseph-McCarthy, D; Foreman, K; Moretto, A; Wu, J; Zhu, M; Binnun, E; Zhang, YL; Tam, M; Erbe, DV; Tobin, J; Xu, X; Leung, L; Shilling, A; Tam, SY; Mansour, TS; Lee, J Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J Med Chem 50:4681-98 (2007) [PubMed] Article
More Info.:
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B)
Type:
Protein phosphatase
Mol. Mass.:
49963.76
Organism:
Human
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
Inhibitor
Name:
BDBM50219591
Synonyms:
5-[3-({[1-(anilinocarbonyl)piperidin-4-yl]methyl}amino)-phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid | CHEMBL230325
Type:
Small organic molecule
Emp. Form.:
C26H26BrN3O6S
Mol. Mass.:
588.47
SMILES:
OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2)c1