Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503338
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
7600±n/a nM
Citation
 Jorand-LeBrun, C; Boivin, R; Mochalkin, I; Johnson, T; Linde, N; Musch, D; Kumar, D Carboxamide-pyrimidine derivatives as SHP2 antagonists US Patent  US11033547 Publication Date 6/15/2021 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11
Synonyms:
PTN11_HUMAN | PTP-1D | PTP-2C | PTP2C | PTPN11 | Protein Tyrosine Phosphatase PPN11/Shp2 | Protein tyrosine phosphatase (PTP) Shp2 | Protein-Tyrosine Phosphatase SHP-2 | Protein-tyrosine phosphatase 2C | SH-PTP3 | SHP2 | SHPTP2 | Src homology phosphatase 2 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 | Tyrosine-protein phosphatase non-receptor type 11 (PTPN11) | Tyrosine-protein phosphatase non-receptor type 11 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 (SHP2)
Type:
Protein phosphatase
Mol. Mass.:
68443.59
Organism:
Homo sapiens (Human)
Description:
Q06124
Residue:
597
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQALLQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM503338
Synonyms:
6-amino-2-{4-amino-1-oxa-9- azaspiro[5.5]undecan-9-yl}-5-(2,3- dichlorophenyl)pyrimidine-4- carboxamide | US11033547, Compound 38 | US11696916, Compound 38
Type:
Small organic molecule
Emp. Form.:
C20H24Cl2N6O2
Mol. Mass.:
451.35
SMILES:
NC1CCOC2(CCN(CC2)c2nc(N)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)C1 |(5.33,-6.16,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-5.33,4.62,;-5.33,6.16,;-4,3.85,;-2.67,4.62,;-2.67,,;-1.33,-.77,;-4,-.77,;-4,-2.31,;-5.33,,;4,-3.85,)|
Structure:
Search PDB for entries with ligand similarity: