Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-301]
Ligand
BDBM50327036
Substrate
n/a
Meas. Tech.
PTP1B Inhibition Assay
Ki
8.200e+6± 4.00e+5 nM
Citation
 Lipchock, JM; Hendrickson, HP; Douglas, BB; Bird, KE; Ginther, PS; Rivalta, I; Ten, NS; Batista, VS; Loria, JP Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid. Biochemistry 56:96-106 (2017) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1 [1-301]
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B)
Type:
Protein
Mol. Mass.:
35009.03
Organism:
Homo sapiens (Human)
Description:
PTP1B truncation (1-301 aa)
Residue:
301
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEP
  
Inhibitor
Name:
BDBM50327036
Synonyms:
(1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid | 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 5-O-caffeoylquinic acid | 5-caffeoyl quinic acid | CHEMBL284616 | Caffeoylquinic acid | Chlorogenic acid (CGA) | Chlorogenicacid | NSC-407296 | US11866416, Example 10 | chlorogenic acid
Type:
Small organic molecule
Emp. Form.:
C16H18O9
Mol. Mass.:
354.3087
SMILES:
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
Structure:
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