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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503368
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
5300±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:
BDBM503368
Synonyms:
6-amino-2-[(1R,5S,6R)-6- (aminomethyI)-3-azabicyclo- [3.1.0]hexan-3-yl]-5-(2,3- dichlorophenyl)pyrimidine-4- carboxamide | US11033547, Compound 70 | US11696916, Compound 70
Type:
Small organic molecule
Emp. Form.:
C17H18Cl2N6O
Mol. Mass.:
393.27
SMILES:
NC[C@H]1[C@@H]2CN(C[C@H]12)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:7.6,3.3,wD:2.1,(6.27,-5.55,;6.27,-4.01,;4.94,-3.24,;4.17,-1.9,;3.14,-.76,;1.73,-1.38,;1.89,-2.92,;3.4,-3.24,;.4,-.61,;.4,.93,;-.94,1.7,;-.94,3.24,;-2.27,.93,;-3.6,1.7,;-4.94,.93,;-6.27,1.7,;-6.27,3.24,;-4.94,4.01,;-4.94,5.55,;-3.6,3.24,;-2.27,4.01,;-2.27,-.61,;-.94,-1.38,;-3.6,-1.38,;-3.6,-2.92,;-4.94,-.61,)|
Structure:
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