Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM13433
Substrate
BDBM13432
Meas. Tech.
Phosphatase Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
42500±n/a nM
Citation
 Klopfenstein, SR; Evdokimov, AG; Colson, AO; Fairweather, NT; Neuman, JJ; Maier, MB; Gray, JL; Gerwe, GS; Stake, GE; Howard, BW; Farmer, JA; Pokross, ME; Downs, TR; Kasibhatla, B; Peters, KG 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors. Bioorg Med Chem Lett 16:1574-8 (2006) [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:
BDBM13433
Synonyms:
N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid | Tetrahydroisoquinoline (TIQ) deriv. 3
Type:
Small organic molecule
Emp. Form.:
C16H23N3O6S
Mol. Mass.:
385.435
SMILES:
CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13432
Synonyms:
6,8-difluoro-4-methylumbelliferyl phosphate | DiFMUP | [(6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C10H7F2O6P
Mol. Mass.:
292.1295
SMILES:
Cc1cc(=O)oc2c(F)c(OP(O)(O)=O)c(F)cc12
Structure:
Search PDB for entries with ligand similarity: