Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein phosphatase non-receptor type 1
LigandBDBM50557984
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2060853 (CHEMBL4716106)
Ki 3400±n/a nM
Citation Barluenga, SZambaldo, CIoannidou, HACiobanu, MMorieux, PDaguer, JPWinssinger, N Novel PTP1B inhibitors identified by DNA display of fragment pairs. Bioorg Med Chem Lett26:1080-1085 (2016) [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: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:Homo sapiens (Human)
Description:Human recombinant GST-fusion PTP1B (1-435).
Residue:435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLH
QEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLK
CAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWP
DFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKD
PSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLE
PPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYG
IESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLT
AGAYLCYRFLFNSNT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50557984
n/a
NameBDBM50557984
Synonyms:CHEMBL4744734
TypeSmall organic molecule
Emp. Form.C53H79N13O9S2
Mol. Mass.1106.406
SMILESCCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: