Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503395
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
49.0±n/a nM
Citation
 Jorand-LeBrun, CBoivin, RMochalkin, IJohnson, TLinde, NMusch, DKumar, D Carboxamide-pyrimidine derivatives as SHP2 antagonists US Patent  US11033547 Publication Date 6/15/2021 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11
Synonyms:
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 2C | SH-PTP3 | SHP2 | SHPTP2 | Src homology phosphatase 2 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 | 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:
597
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQALLQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM503395
Synonyms:
(5P)-2-[(3aR,6aS)-3a- (aminomethyl)-octahydro- cyclopenta[c]pyrrol-2-yl]-6-amino-5- (2,3-dichlorophenyl)-pyrimidine-4- carboxamide | US11033547, Compound 98 | US11033547, Compound 99
Type:
Small organic molecule
Emp. Form.:
C19H22Cl2N6O
Mol. Mass.:
421.324
SMILES:
NC[C@@]12CCC[C@@H]1CN(C2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:2.1,wD:6.7,(4.76,.43,;5.16,-1.06,;4.39,-2.39,;5.89,-2.71,;6.05,-4.24,;4.65,-4.87,;3.62,-3.72,;2.11,-3.4,;1.95,-1.87,;3.36,-1.25,;.62,-1.1,;.62,.44,;-.72,1.21,;-.72,2.75,;-2.05,.44,;-3.39,1.21,;-4.72,.44,;-6.05,1.21,;-6.05,2.75,;-4.72,3.52,;-4.72,5.06,;-3.39,2.75,;-2.05,3.52,;-2.05,-1.1,;-.72,-1.87,;-3.39,-1.87,;-3.39,-3.41,;-4.72,-1.1,)|
Structure:
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