Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM497080
Substrate
n/a
Meas. Tech.
SHP2 Biochemical Assay
IC50
41.0±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  US11702392 Publication Date 7/18/2023 
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:
BDBM497080
Synonyms:
US11001561, Compound 67b | US11702392, Compound 67b
Type:
Small organic molecule
Emp. Form.:
C21H26Cl2N4O
Mol. Mass.:
421.363
SMILES:
Cc1nc(N2CCC3(CCC[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:11.12,(10.07,-1.9,;9.3,-.56,;7.76,-.56,;6.99,.77,;5.45,.77,;4.68,2.1,;3.14,2.1,;2.37,.77,;1.47,2.02,;0,1.54,;0,,;1.47,-.48,;1.94,-1.94,;3.14,-.56,;4.68,-.56,;7.76,2.1,;6.99,3.44,;9.3,2.1,;10.07,3.44,;10.07,.77,;11.61,.77,;12.38,-.56,;13.92,-.56,;14.69,.77,;13.92,2.1,;14.69,3.44,;12.38,2.1,;11.61,3.44,)|
Structure:
Search PDB for entries with ligand similarity: