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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM605783
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:
BDBM605783
Synonyms:
US11673901, Compound 53
Type:
Small organic molecule
Emp. Form.:
C23H27N7O
Mol. Mass.:
417.5068
SMILES:
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccnc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)|
Structure:
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