Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 22
Ligand
BDBM74525
Substrate
n/a
Meas. Tech.
Dose Response confirmation of uHTS hits from a small molecule inhibitors of LYP via a fluorescence intensity assay - Set 2
IC50
8580±452 nM
Citation
 PubChem, PC Dose Response confirmation of uHTS hits from a small molecule inhibitors of LYP via a fluorescence intensity assay - Set 2 PubChem Bioassay (2010)[AID] 
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:
BDBM74525
Synonyms:
4-(3-{[[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino](imino)methyl]thio}-2,5-dioxopyrrolidin-1-yl)benzoic acid | 4-[2,5-diketo-3-[[N'-(piperonylideneamino)amidino]thio]pyrrolidino]benzoic acid | 4-[3-[N'-(1,3-benzodioxol-5-ylmethylideneamino)carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid | 4-[3-[N'-(1,3-benzodioxol-5-ylmethylideneamino)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid | 4-[3-[[amino-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid | MLS000689648 | SMR000312892 | cid_3848047
Type:
Small organic molecule
Emp. Form.:
C20H16N4O6S
Mol. Mass.:
440.429
SMILES:
OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
Structure:
Search PDB for entries with ligand similarity: