Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Tyrosine-protein phosphatase non-receptor type 11 [E76Z]
Ligand
BDBM497105
Substrate
n/a
Meas. Tech.
SHP2 Biochemical Assay
IC50
0.500±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 More Info.:
Target
Name:
Tyrosine-protein phosphatase non-receptor type 11 [E76Z]
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
67889.96
Organism:
Homo sapiens
Description:
n/a
Residue:
592
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLALVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
Inhibitor
Name:
BDBM497105
Synonyms:
US11001561, Compound 81a | US11702392, Compound 81b
Type:
Small organic molecule
Emp. Form.:
C24H24Cl2N4O2
Mol. Mass.:
471.379
SMILES:
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)|
Structure:
