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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM605782
Substrate
n/a
Meas. Tech.
SHP2 Allosteric Inhibition Assay
IC50
<50±n/a nM
Citation
 Koltun, ES; Aay, NN; Buckl, A; Mellem, KT; Blank, BR; Pitzen, J; Wang, G; Jogalekar, AS; Won, WS; Tzitzilonis, C; Li, JJ; Gill, AL; Cregg, JJ Polycyclic compounds as allosteric SHP2 inhibitors US Patent  US11673901 Publication Date 6/13/2023 
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:
BDBM605782
Synonyms:
US11673901, Compound 52
Type:
Small organic molecule
Emp. Form.:
C24H27ClN6O
Mol. Mass.:
450.964
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc(Cl)cc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.31,-6.63,;5.68,-5.22,;6.45,-3.89,;5.42,-2.75,;4.02,-3.37,;2.68,-4.14,;1.35,-3.37,;1.35,-1.83,;2.68,-1.06,;4.02,-1.83,;.02,-1.06,;.02,.48,;-1.32,1.25,;-1.32,2.79,;-2.65,.48,;-3.98,1.25,;-5.32,.48,;-6.65,1.25,;-7.99,.48,;-6.65,2.79,;-5.32,3.56,;-5,5.06,;-3.47,5.22,;-2.84,3.82,;-3.98,2.79,;-2.65,-1.06,;-3.8,-2.09,;-3.17,-3.5,;-1.64,-3.34,;-1.32,-1.83,;4.18,-4.9,;5.74,-1.24,)|
Structure:
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