Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11 [E76Z]
Ligand
BDBM608845
Substrate
n/a
Meas. Tech.
SHP2 Biochemical Assay (with IRSI_2pY)
IC50
12000±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 [E76Z]
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
67889.96
Organism:
Human
Description:
n/a
Residue:
592
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLALVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM608845
Synonyms:
US11702392, Compound 23b | (3M)-6-[(3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5]decan-8-yl]-3-(2,3- dichlorophenyl)-2,5-dimethyl-3,4- dihydropyrimidin-4-one
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:4.3,wD:27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,1.36,;-2.04,1.36,;-1.27,.02,;-2.04,-1.31,;-3.58,-1.31,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;.27,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
Structure:
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