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Target
Tyrosine-protein phosphatase non-receptor type 22
Ligand
BDBM50031917
Substrate
n/a
Meas. Tech.
ChEMBL_1437900 (CHEMBL3384864)
IC50
39200±n/a nM
Citation
 Hou, X; Li, R; Li, K; Yu, X; Sun, JP; Fang, H Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. J Med Chem 57:9309-22 (2014) [PubMed]  Article
Target
Name:
Tyrosine-protein phosphatase non-receptor type 22
Synonyms:
3.1.3.48 | Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP | LyP | Lymphoid phosphatase | Lymphoid phosphatase (Lyp) | PEP | PEST-domain phosphatase | PTN22_HUMAN | PTPN22 | PTPN8 | Tyrosine-protein phosphatase non-receptor type 22 (LYP) | tyrosine-protein phosphatase non-receptor type 22 isoform 1
Type:
n/a
Mol. Mass.:
91712.31
Organism:
Homo sapiens (Human)
Description:
Q9Y2R2
Residue:
807
Sequence:
MDQREILQKFLDEAQSKKITKEEFANEFLKLKRQSTKYKADKTYPTTVAEKPKNIKKNRYKDILPYDYSRVELSLITSDEDSSYINANFIKGVYGPKAYIATQGPLSTTLLDFWRMIWEYSVLIIVMACMEYEMGKKKCERYWAEPGEMQLEFGPFSVSCEAEKRKSDYIIRTLKVKFNSETRTIYQFHYKNWPDHDVPSSIDPILELIWDVRCYQEDDSVPICIHCSAGCGRTGVICAIDYTWMLLKDGIIPENFSVFSLIREMRTQRPSLVQTQEQYELVYNAVLELFKRQMDVIRDKHSGTESQAKHCIPEKNHTLQADSYSPNLPKSTTKAAKMMNQQRTKMEIKESSSFDFRTSEISAKEELVLHPAKSSTSFDFLELNYSFDKNADTTMKWQTKAFPIVGEPLQKHQSLDLGSLLFEGCSNSKPVNAAGRYFNSKVPITRTKSTPFELIQQRETKEVDSKENFSYLESQPHDSCFVEMQAQKVMHVSSAELNYSLPYDSKHQIRNASNVKHHDSSALGVYSYIPLVENPYFSSWPPSGTSSKMSLDLPEKQDGTVFPSSLLPTSSTSLFSYYNSHDSLSLNSPTNISSLLNQESAVLATAPRIDDEIPPPLPVRTPESFIVVEEAGEFSPNVPKSLSSAVKVKIGTSLEWGGTSEPKKFDDSVILRPSKSVKLRSPKSELHQDRSSPPPPLPERTLESFFLADEDCMQAQSIETYSTSYPDTMENSTSSKQTLKTPGKSFTRSKSLKILRNMKKSICNSCPPNKPAESVQSNNSSSFLNFGFANRFSKPKGPRNPPPTWNI
  
Inhibitor
Name:
BDBM50031917
Synonyms:
CHEMBL3360913
Type:
Small organic molecule
Emp. Form.:
C20H16BrN5O2S4
Mol. Mass.:
566.537
SMILES:
CC(=O)Nc1ccc2nc(SCC(=O)Nc3nnc(SCc4cccc(Br)c4)s3)sc2c1
Structure:
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