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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503315
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
8800±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:
BDBM503315
Synonyms:
6-amino-5-(2,3-dichlorophenyl)-2- [(1R,7S,11r)-11-amino-1,7- dimethyl-9-azabicyclo[5.3.1]- undecan-9-yl]pyrimidine-4- carboxamide | US11033547, Compound 14 | US11696916, Compound 14
Type:
Small organic molecule
Emp. Form.:
C23H30Cl2N6O
Mol. Mass.:
477.43
SMILES:
C[C@@]12CN(C[C@@](C)(CCCCC1)[C@@H]2N)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:12.14,wD:5.5,1.0,(1.83,-5.11,;2.84,-3.95,;1.51,-3.18,;1.51,-1.64,;2.84,-.87,;4.18,-1.64,;4.77,-.22,;5.61,-1.83,;6.49,-2.97,;6.3,-4.41,;5.16,-5.29,;3.73,-5.1,;3.03,-2.52,;4.12,-3.61,;.18,-.87,;.18,.67,;-1.16,1.44,;-1.16,2.98,;-2.49,.67,;-3.82,1.44,;-5.16,.67,;-6.49,1.44,;-6.49,2.98,;-5.16,3.75,;-5.16,5.29,;-3.82,2.98,;-2.49,3.75,;-2.49,-.87,;-1.16,-1.64,;-3.82,-1.64,;-3.82,-3.18,;-5.16,-.87,)|
Structure:
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