Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50243240
Substrate
n/a
Meas. Tech.
ChEMBL_491985 (CHEMBL951535)
Ki
24±n/a nM
Citation
 Hussain, M; Ahmed, V; Hill, B; Ahmed, Z; Taylor, SD A re-examination of the difluoromethylenesulfonic acid group as a phosphotyrosine mimic for PTP1B inhibition. Bioorg Med Chem 16:6764-77 (2008) [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:
BDBM50243240
Synonyms:
(3-((R)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)propanamido)-3-carboxypropanamido)-4-carboxybutanamido)-3-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-3-oxopropyl)phenyl)difluoromethylphosphonate | CID44560694 | PTP1B inhibitor peptide 1
Type:
Small organic molecule
Emp. Form.:
C32H44F2N7O15P
Mol. Mass.:
835.7013
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(c1)C(F)(F)P([O-])([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r|
Structure:
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