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Target
Tyrosine-protein phosphatase non-receptor type 1 [V113I]
Ligand
BDBM13814
Substrate
BDBM13594
Meas. Tech.
PTP1B and TCPTP Inhibition Assay
pH
6.3000±n/a
Temperature
295.1500±n/a K
IC50
39±8 nM
Km
20000.0000±2000.0000 nM
Comments
kcat/Km= 100000 M-1s-1
Citation
 Asante-Appiah, E; Patel, S; Desponts, C; Taylor, JM; Lau, C; Dufresne, C; Therien, M; Friesen, R; Becker, JW; Leblanc, Y; Kennedy, BP; Scapin, G Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. J Biol Chem 281:8010-5 (2006) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1 [V113I]
Synonyms:
PTP-1B | PTPase 1B | Tyrosine-protein phosphatase, non-receptor type 1 | PTN1_HUMAN | PTPN1 | PTP1B | Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (V113I)
Type:
Enzyme
Mol. Mass.:
34684.68
Organism:
Human
Description:
P18031[V113I]
Residue:
298
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRIMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
  
Inhibitor
Name:
BDBM13814
Synonyms:
({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid | benzotriazole phenyldifluoromethylphosphonic acid compound 1
Type:
Small organic molecule
Emp. Form.:
C32H28F2N3O5P
Mol. Mass.:
603.17
SMILES:
COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4
Structure:
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Substrate
Name:
BDBM13594
Synonyms:
ammonium 6'-(phosphonatooxy)-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one phosphate | fluorescein diphosphate, tetraammonium salt | Fluorescein diphosphate (FDP)
Type:
Small organic molecule
Emp. Form.:
C20H10O11P2-4
Mol. Mass.:
487.97
SMILES:
[O-]P([O-])(=O)Oc1ccc2c(Oc3cc(OP([O-])([O-])=O)ccc3C22OC(=O)c3ccccc23)c1
Structure:
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