Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM503373
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
2100±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:
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:
BDBM503373
Synonyms:
2-((3aS,4R,6aR)-4-Amino- hexahydro-cyclopenta[c]pyrrol-2- yl)-5-(2,3-dichloro-phenyl)-6- methyl-pyrimidine-4-carboxylic acid amide | US11033547, Compound 75 | US11696916, Compound 75
Type:
Small organic molecule
Emp. Form.:
C19H21Cl2N5O
Mol. Mass.:
406.309
SMILES:
Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@@H](N)[C@@H]2C1 |r,wU:23.25,wD:20.22,25.28,(-2.25,3.29,;-1.48,1.95,;.06,1.95,;.83,.62,;.06,-.71,;-1.48,-.71,;-2.25,-2.05,;-1.16,-3.14,;-3.79,-2.05,;-2.25,.62,;-3.79,.62,;-4.56,-.71,;-6.1,-.71,;-6.87,.62,;-6.1,1.95,;-6.87,3.29,;-4.56,1.95,;-3.79,3.29,;2.37,.62,;3.61,1.53,;4.86,.62,;6.4,.62,;6.87,-.84,;5.63,-1.75,;5.63,-3.29,;4.38,-.84,;2.84,-.84,)|
Structure:
Search PDB for entries with ligand similarity: