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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM605779
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:
BDBM605779
Synonyms:
US11673901, Compound 49
Type:
Small organic molecule
Emp. Form.:
C23H27Cl2N5O2
Mol. Mass.:
476.399
SMILES:
COc1cc(Cl)c(Cl)c(c1)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:23.25,21.22,(-6.65,5.55,;-5.32,4.78,;-5.32,3.24,;-6.65,2.47,;-6.65,.93,;-7.99,.16,;-5.32,.16,;-5.32,-1.38,;-3.98,.93,;-3.98,2.47,;-2.65,.16,;-1.32,.93,;-1.32,2.47,;.02,.16,;.02,-1.38,;1.35,-2.15,;1.35,-3.69,;2.68,-4.46,;4.02,-3.69,;4.18,-5.23,;5.68,-5.55,;6.45,-4.21,;7.99,-4.05,;5.42,-3.07,;5.74,-1.56,;4.02,-2.15,;2.68,-1.38,;-1.32,-2.15,;-1.64,-3.66,;-3.17,-3.82,;-3.8,-2.41,;-2.65,-1.38,)|
Structure:
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