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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM605780
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:
BDBM605780
Synonyms:
US11673901, Compound 50
Type:
Small organic molecule
Emp. Form.:
C24H27ClN6O
Mol. Mass.:
450.964
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4c(Cl)c[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.97,-5.8,;6.34,-4.39,;7.11,-3.06,;6.08,-1.91,;4.68,-2.54,;3.34,-3.31,;2.01,-2.54,;2.01,-1,;3.34,-.23,;4.68,-1,;.67,-.23,;.67,1.31,;-.66,2.08,;-.66,3.62,;-1.99,1.31,;-3.33,2.08,;-3.33,3.62,;-4.66,4.39,;-5.99,3.62,;-5.99,2.08,;-7.14,1.05,;-8.64,1.37,;-6.51,-.36,;-4.98,-.2,;-4.66,1.31,;-1.99,-.23,;-3.14,-1.26,;-2.51,-2.67,;-.98,-2.51,;-.66,-1,;4.84,-4.07,;6.4,-.41,)|
Structure:
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