Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProtein-tyrosine phosphatase 1B
LigandBDBM50113301
Substrate/Competitorn/a
Meas. Tech.ChEMBL_162252
IC50 21600±n/a nM
Citation Doman TNMcGovern SLWitherbee BJKasten TPKurumbail RStallings WCConnolly DTShoichet BK Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem 45:2213-21 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Protein-tyrosine phosphatase 1B
Name:Protein-tyrosine phosphatase 1B
Synonyms:PTP1B | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | 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:
BDBM50113301
n/a
NameBDBM50113301
Synonyms:4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzoic acid anion
TypeSmall organic molecule
Emp. Form.C18H12NO3S2
Mol. Mass.354.423
SMILES[O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: