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Target
Tyrosine-protein phosphatase non-receptor type 11 [E76K]
Ligand
BDBM516917
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
45.0±n/a nM
Citation
 Jones, P; Czako, B; Carroll, CL; Mandal, P; Cross, J PTPN11 inhibitors US Patent  US11104675 Publication Date 8/31/2021 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11 [E76K]
Synonyms:
PTN11_HUMAN | PTP2C | PTPN11 | Protein-tyrosine phosphatase 1D | SHPTP2 | Tyrosine-protein phosphatase non-receptor type 11 | Tyrosine-protein phosphatase non-receptor type 11 (PTPN11)(E76K)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
68019.14
Organism:
Human
Description:
Q06124[E76K]
Residue:
593
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAKLVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM516917
Synonyms:
US11104675, Example 9
Type:
Small organic molecule
Emp. Form.:
C20H23Cl3N4O2
Mol. Mass.:
457.781
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
Structure:
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