Reaction Details Report a problem with these data
Target
Receptor-type tyrosine-protein phosphatase O
Ligand
BDBM50564156
Substrate
n/a
Meas. Tech.
ChEMBL_2086940 (CHEMBL4768203)
IC50
41900±n/a nM
Citation
 Hou, X; Sun, JP; Ge, L; Liang, X; Li, K; Zhang, Y; Fang, H Inhibition of striatal-enriched protein tyrosine phosphatase by targeting computationally revealed cryptic pockets. Eur J Med Chem 190:0 (2020) [PubMed]  Article 
Target
Name:
Receptor-type tyrosine-protein phosphatase O
Synonyms:
3.1.3.48 | GLEPP1 | Glomerular epithelial protein 1 | PTP-U2 | PTPRO | PTPRO_HUMAN | PTPU2 | PTPase U2 | Protein tyrosine phosphatase U2 | R-PTP-O | Receptor-type tyrosine-protein phosphatase O
Type:
PROTEIN
Mol. Mass.:
138331.70
Organism:
Homo sapiens
Description:
ChEMBL_117354
Residue:
1216
Sequence:
MGHLPTGIHGARRLLPLLWLFVLFKNATAFHVTVQDDNNIVVSLEASDVISPASVYVVKITGESKNYFFEFEEFNSTLPPPVIFKASYHGLYYIITLVVVNGNVVTKPSRSITVLTKPLPVTSVSIYDYKPSPETGVLFEIHYPEKYNVFTRVNISYWEGKDFRTMLYKDFFKGKTVFNHWLPGMCYSNITFQLVSEATFNKSTLVEYSGVSHEPKQHRTAPYPPQNISVRIVNLNKNNWEEQSGNFPEESFMRSQDTIGKEKLFHFTEETPEIPSGNISSGWPDFNSSDYETTSQPYWWDSASAAPESEDEFVSVLPMEYENNSTLSETEKSTSGSFSFFPVQMILTWLPPKPPTAFDGFHIHIEREENFTEYLMVDEEAHEFVAELKEPGKYKLSVTTFSSSGSCETRKSQSAKSLSFYISPSGEWIEELTEKPQHVSVHVLSSTTALMSWTSSQENYNSTIVSVVSLTCQKQKESQRLEKQYCTQVNSSKPIIENLVPGAQYQVVIYLRKGPLIGPPSDPVTFAIVPTGIKDLMLYPLGPTAVVLSWTRPYLGVFRKYVVEMFYFNPATMTSEWTTYYEIAATVSLTASVRIANLLPAWYYNFRVTMVTWGDPELSCCDSSTISFITAPVAPEITSVEYFNSLLYISWTYGDDTTDLSHSRMLHWMVVAEGKKKIKKSVTRNVMTAILSLPPGDIYNLSVTACTERGSNTSMLRLVKLEPAPPKSLFAVNKTQTSVTLLWVEEGVADFFEVFCQQVGSSQKTKLQEPVAVSSHVVTISSLLPATAYNCSVTSFSHDSPSVPTFIAVSTMVTEMNPNVVVISVLAILSTLLIGLLLVTLIILRKKHLQMARECGAGTFVNFASLERDGKLPYNWRRSIFAFLTLLPSCLWTDYLLAFYINPWSKNGLKKRKLTNPVQLDDFDAYIKDMAKDSDYKFSLQFEELKLIGLDIPHFAADLPLNRCKNRYTNILPYDFSRVRLVSMNEEEGADYINANYIPGYNSPQEYIATQGPLPETRNDFWKMVLQQKSQIIVMLTQCNEKRRVKCDHYWPFTEEPIAYGDITVEMISEEEQDDWACRHFRINYADEMQDVMHFNYTAWPDHGVPTANAAESILQFVHMVRQQATKSKGPMIIHCSAGVGRTGTFIALDRLLQHIRDHEFVDILGLVSEMRSYRMSMVQTEEQYIFIHQCVQLMWMKKKQQFCISDVIYENVSKS
  
Inhibitor
Name:
BDBM50564156
Synonyms:
CHEMBL4780469
Type:
Small organic molecule
Emp. Form.:
C25H20ClFN2O4S
Mol. Mass.:
498.954
SMILES:
OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1ccc(F)cc1)Sc1ccccc1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: