Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503398
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
75.0±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:
BDBM503398
Synonyms:
(5P)-2-[(3aS,7aR)-3a- (aminomethyl)-octahydro-1H- isoindol-2-yl]-6-amino-5-(2,3- dichlorophenyl)pyrimidine-4- carboxamide | US11033547, Compound 101 | US11033547, Compound 103 | US11696916, Compound 103
Type:
Small organic molecule
Emp. Form.:
C20H24Cl2N6O
Mol. Mass.:
435.35
SMILES:
NC[C@@]12CN(C[C@@H]1CCCC2)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:6.5,wD:2.1,(4.44,.43,;4.83,-1.06,;4.06,-2.39,;3.03,-1.25,;1.63,-1.87,;1.79,-3.4,;3.29,-3.72,;4.06,-5.06,;5.6,-5.06,;6.37,-3.72,;5.6,-2.39,;.29,-1.1,;.29,.44,;-1.04,1.21,;-1.04,2.75,;-2.37,.44,;-3.71,1.21,;-5.04,.44,;-6.37,1.21,;-6.37,2.75,;-5.04,3.52,;-5.04,5.06,;-3.71,2.75,;-2.37,3.52,;-2.37,-1.1,;-1.04,-1.87,;-3.71,-1.87,;-3.71,-3.41,;-5.04,-1.1,)|
Structure:
Search PDB for entries with ligand similarity: