Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503355
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1700±n/a nM
Citation
 Jorand-LeBrun, C; Boivin, R; Mochalkin, I; Johnson, T; Linde, N; Musch, D; Kumar, 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:
BDBM503355
Synonyms:
6-amino-2-[3-(aminomethyl)-3- methylazetidin-1-yl]-5-(2,3- dichlorophenyl)pyrimidine-4- carboxamide | US11033547, Compound 55 | US11696916, Compound 55
Type:
Small organic molecule
Emp. Form.:
C16H18Cl2N6O
Mol. Mass.:
381.26
SMILES:
CC1(CN)CN(C1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(4.88,-4.55,;3.79,-3.47,;5.33,-3.47,;6.1,-2.13,;2.3,-3.86,;1.9,-2.38,;3.39,-1.98,;.57,-1.61,;.57,-.07,;-.76,.7,;-.76,2.24,;-2.1,-.07,;-3.43,.7,;-4.77,-.07,;-6.1,.7,;-6.1,2.24,;-4.77,3.01,;-4.77,4.55,;-3.43,2.24,;-2.1,3.01,;-2.1,-1.61,;-.76,-2.38,;-3.43,-2.38,;-3.43,-3.92,;-4.77,-1.61,)|
Structure:
Search PDB for entries with ligand similarity: