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Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM13987
Substrate
BDBM13466
Meas. Tech.
PTP1B and TCPTP Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
9000±1.2 nM
Citation
 Xin, Z; Liu, G; Abad-Zapatero, C; Pei, Z; Szczepankiewicz, BG; Li, X; Zhang, T; Hutchins, CW; Hajduk, PJ; Ballaron, SJ; Stashko, MA; Lubben, TH; Trevillyan, JM; Jirousek, MR Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. Bioorg Med Chem Lett 13:3947-50 (2003) [PubMed]  Article 
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:
BDBM13987
Synonyms:
1:1 racemic mixture | 2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]-2-hydroxyphenoxy}acetic acid | phosphotyrosyl mimetic 20
Type:
Small organic molecule
Emp. Form.:
C25H30N2O10
Mol. Mass.:
518.5131
SMILES:
COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(O)c1)NC(C)=O
Structure:
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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
Structure:
Search PDB for entries with ligand similarity: