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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503313
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1600±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:
BDBM503313
Synonyms:
6-amino-2-[3-(aminomethyl)-8- azabicyclo[3.2.1]octan-8-yl]-5-(2,3- dichlorophenyl)-pyrimidine-4- carboxamide | US11033547, Compound 12 | US11696916, Compound 12
Type:
Small organic molecule
Emp. Form.:
C19H22Cl2N6O
Mol. Mass.:
421.324
SMILES:
NCC1CC2CCC(C1)N2c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |TLB:1:2:9:5.6,(7.25,-2.88,;5.92,-3.65,;4.54,-2.96,;3.57,-1.66,;2.23,-2.43,;2.63,-3.91,;1.52,-4.9,;1.52,-3.36,;3,-2.96,;.75,-2.03,;-.59,-1.26,;-.59,.28,;-1.92,1.05,;-1.92,2.59,;-3.25,.28,;-4.59,1.05,;-5.92,.28,;-7.25,1.05,;-7.25,2.59,;-5.92,3.36,;-5.92,4.9,;-4.59,2.59,;-3.25,3.36,;-3.25,-1.26,;-1.92,-2.03,;-4.59,-2.03,;-4.59,-3.57,;-5.92,-1.26,)|
Structure:
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