Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50093525
Substrate
n/a
Meas. Tech.
ChEMBL_1501267 (CHEMBL3587976)
Ki
4500±n/a nM
Citation
 Nguyen, PHJi, DJHan, YRChoi, JSRhyu, DYMin, BSWoo, 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:
BDBM50093525
Synonyms:
taiwaniaflavone
Type:
Small organic molecule
Emp. Form.:
C30H18O10
Mol. Mass.:
538.4579
SMILES:
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)|
Structure:
Search PDB for entries with ligand similarity: