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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM396054
Substrate
n/a
Meas. Tech.
SHP2 Allosteric Inhibition Assay
IC50
48.0±n/a nM
Citation
 Chen, Z; Fortanet, JG; LaMarche, MJ; Sendzik, M; Tamez, Jr., V; Yu, B Compounds and compositions for inhibiting the activity of SHP2 US Patent  US10308660 Publication Date 6/4/2019 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11
Synonyms:
3.1.3.48 | 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 1D | Protein-tyrosine phosphatase 2C | SH-PTP2 | SH-PTP3 | SHP-2 | SHP2 | SHPTP2 | Src homology phosphatase 2 (SHP-2) | 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:
593
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM396054
Synonyms:
US10308660, Example 156
Type:
Small organic molecule
Emp. Form.:
C20H25F2N5O2
Mol. Mass.:
405.4416
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccc(F)cc3F)c(=O)n2C)[C@@H]1N |r,wD:27.31,1.0,(6.85,5.13,;6.45,3.65,;7.22,2.31,;6.19,1.17,;4.78,1.8,;4.78,.26,;3.45,-.51,;2.12,.26,;2.12,1.8,;3.45,2.57,;.78,-.51,;-.55,.26,;-1.89,-.51,;-3.22,.26,;-1.89,-2.05,;-3.22,-2.82,;-4.55,-2.05,;-5.89,-2.82,;-5.89,-4.36,;-7.22,-5.13,;-4.55,-5.13,;-3.22,-4.36,;-1.89,-5.13,;-.55,-2.82,;-.55,-4.36,;.78,-2.05,;2.12,-2.82,;4.94,3.33,;3.85,4.42,)|
Structure:
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