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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503383
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
48.0±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:
BDBM503383
Synonyms:
2-[(3S,4S)-4-amino-3-methyl-2- oxa-8-azaspiro[4.5]decan-8-yl]-5- (2,3-dichlorophenyl)-6- methylpyrimidine-4-carboxamide | US11033547, Compound 85
Type:
Small organic molecule
Emp. Form.:
C21H25Cl2N5O2
Mol. Mass.:
450.362
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c(n2)C(N)=O)[C@@H]1N |r,wD:28.32,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-1.98,-1.77,;-4.65,-1.77,;-4.65,-3.31,;-5.99,-1,;4.76,-2.68,;5.08,-1.18,)|
Structure:
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