Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50131548
Substrate
n/a
Meas. Tech.
ChEMBL_162277 (CHEMBL770975)
Ki
560.0±n/a nM
Citation
Liu, G; Xin, Z; Liang, H; Abad-Zapatero, C; Hajduk, PJ; Janowick, DA; Szczepankiewicz, BG; Pei, Z; Hutchins, CW; Ballaron, SJ; Stashko, MA; Lubben, TH; Berg, CE; Rondinone, CM; Trevillyan, JM; Jirousek, MR Selective protein tyrosine phosphatase 1B inhibitors: targeting the second phosphotyrosine binding site with non-carboxylic acid-containing ligands. J Med Chem 46:3437-40 (2003) [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:
BDBM50131548
Synonyms:
4-[4-(2-Acetylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-3-ethyl-phenyl}-propionylamino)-butoxy]-2-hydroxy-biphenyl-3-carboxylic acid methyl ester | CHEMBL326829
Type:
Small organic molecule
Emp. Form.:
C40H41N3O11
Mol. Mass.:
739.767
SMILES:
CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccc(c(O)c2C(=O)OC)-c2ccccc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O