Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM13601
Substrate
BDBM13594
Meas. Tech.
PTP1B and TCPTP Inhibition Assay
pH
6.3±n/a
Temperature
295.15±n/a K
IC50
6±n/a nM
Citation
 Scapin, G; Patel, SB; Becker, JW; Wang, Q; Desponts, C; Waddleton, D; Skorey, K; Cromlish, W; Bayly, C; Therien, M; Gauthier, JY; Li, CS; Lau, CK; Ramachandran, C; Kennedy, BP; Asante-Appiah, E The structural basis for the selectivity of benzotriazole inhibitors of PTP1B. Biochemistry 42:11451-9 (2003) [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:
BDBM13601
Synonyms:
5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-(3-methylbutoxy)benzene-1-phosphonic acid | Aryldifluoromethyl-Phosphonic Acid Inhibitor 8
Type:
Small organic molecule
Emp. Form.:
C39H39F2N3O7P2
Mol. Mass.:
761.6872
SMILES:
CC(C)CCOc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13594
Synonyms:
Fluorescein diphosphate (FDP) | ammonium 6'-(phosphonatooxy)-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one phosphate | fluorescein diphosphate, tetraammonium salt
Type:
Small organic molecule
Emp. Form.:
C20H10O11P2
Mol. Mass.:
488.2365
SMILES:
[O-]P([O-])(=O)Oc1ccc2c(Oc3cc(OP([O-])([O-])=O)ccc3C22OC(=O)c3ccccc23)c1
Structure:
Search PDB for entries with ligand similarity: