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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50113303
Substrate
n/a
Meas. Tech.
ChEMBL_162252 (CHEMBL770119)
IC50
19300±n/a nM
Citation
 Doman, TN; McGovern, SL; Witherbee, BJ; Kasten, TP; Kurumbail, R; Stallings, WC; Connolly, DT; Shoichet, BK Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem 45:2213-21 (2002) [PubMed]
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:
BDBM50113303
Synonyms:
2-Chloro-4-{5-[1-(3-chloro-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidenemethyl]-furan-2-yl}-benzoic acid anion
Type:
Small organic molecule
Emp. Form.:
C22H13Cl2N2O4
Mol. Mass.:
440.256
SMILES:
[O-]C(=O)c1ccc(cc1Cl)-c1ccc(C=c2c(=C)[nH]n(-c3cccc(Cl)c3)c2=O)o1 |w:14.14|
Structure:
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