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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM396074
Substrate
n/a
Meas. Tech.
SHP2 Allosteric Inhibition Assay
IC50
271±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:
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:
BDBM396074
Synonyms:
US10308660, Example 176
Type:
Small organic molecule
Emp. Form.:
C21H29N5O2
Mol. Mass.:
383.4873
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(-c3ccccc3C)c(=O)n2C)[C@@H]1N |r,wD:26.30,1.0,(6.18,5.13,;5.78,3.65,;6.55,2.31,;5.52,1.17,;4.12,1.8,;4.12,.26,;2.78,-.51,;1.45,.26,;1.45,1.8,;2.78,2.57,;.11,-.51,;-1.22,.26,;-2.55,-.51,;-3.89,.26,;-2.55,-2.05,;-3.89,-2.82,;-5.22,-2.05,;-6.55,-2.82,;-6.55,-4.36,;-5.22,-5.13,;-3.89,-4.36,;-2.55,-5.13,;-1.22,-2.82,;-1.22,-4.36,;.11,-2.05,;1.45,-2.82,;4.28,3.33,;3.19,4.42,)|
Structure:
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