Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503393
Substrate
n/a
Meas. Tech.
SHP2 Biochemical Assay
IC50
62.0±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  US11696916 Publication Date 7/11/2023 
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:
BDBM503393
Synonyms:
(5M)-2-[(1R)-1-amino-3,3-difluoro- 8-azaspiro[4.5]-decan-8-yl]-5-(2,3- dichloro-phenyl)-6- methylpyrimidine-4-carboxamide | US11033547, Compound 96 | US11033547, Compound 97 | US11696916, Compound 97
Type:
Small organic molecule
Emp. Form.:
C21H23Cl2F2N5O
Mol. Mass.:
470.343
SMILES:
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC(F)(F)C[C@H]2N)CC1 |r,wD:27.30,(-1.6,3.62,;-1.6,2.08,;-.27,1.31,;-.27,-.23,;-1.6,-1,;-2.94,-.23,;-4.27,-1,;-4.27,-2.54,;-5.6,-.23,;-2.94,1.31,;-4.27,2.08,;-5.6,1.31,;-6.94,2.08,;-6.94,3.62,;-5.6,4.39,;-5.6,5.93,;-4.27,3.62,;-2.94,4.39,;1.06,-1,;1.06,-2.54,;2.4,-3.31,;3.73,-2.54,;3.89,-4.07,;5.4,-4.39,;6.94,-4.39,;5.4,-5.93,;6.17,-3.06,;5.14,-1.91,;5.46,-.41,;3.73,-1,;2.4,-.23,)|
Structure:
Search PDB for entries with ligand similarity: