Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50093524
Substrate
n/a
Meas. Tech.
ChEMBL_1501266 (CHEMBL3587908)
IC50
9800±n/a nM
Citation
 Nguyen, PH; Ji, DJ; Han, YR; Choi, JS; Rhyu, DY; Min, BS; Woo, MH Selaginellin and biflavonoids as protein tyrosine phosphatase 1B inhibitors from Selaginella tamariscina and their glucose uptake stimulatory effects. Bioorg Med Chem 23:3730-7 (2015) [PubMed]  Article 
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:
Homo sapiens (Human)
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
  
Inhibitor
Name:
BDBM50093524
Synonyms:
CHEMBL3585680
Type:
Small organic molecule
Emp. Form.:
C30H20O10
Mol. Mass.:
540.4738
SMILES:
Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)|
Structure:
Search PDB for entries with ligand similarity: