Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM497113
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
590±n/a nM
Citation
 Jorand-Lebrun, C; Boivin, R; Johnson, T; Wang, Y; Xiao, Y; Chen, X; Linde, N; Musch, D; Kumar, D Pyrimidinone derivatives as SHP2 antagonists US Patent  US11001561 Publication Date 5/11/2021 
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:
BDBM497113
Synonyms:
US11001561, Compound 88 | US11702392, Compound 88
Type:
Small organic molecule
Emp. Form.:
C19H24Cl2N4O2
Mol. Mass.:
411.325
SMILES:
Cc1nc(N2CCC(CN)(CO)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |(-1.33,-14.63,;,-13.86,;,-12.32,;1.33,-11.55,;1.33,-10.01,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;.34,-5.75,;.87,-4.3,;2.32,-5.75,;3.84,-6.02,;,-7.7,;,-9.24,;2.67,-12.32,;4,-11.55,;2.67,-13.86,;4,-14.63,;1.33,-14.63,;1.33,-16.17,;,-16.94,;,-18.48,;1.33,-19.25,;2.67,-18.48,;4,-19.25,;2.67,-16.94,;4,-16.17,)|
Structure:
Search PDB for entries with ligand similarity: