Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM50530243
Substrate
n/a
Meas. Tech.
ChEMBL_1911577 (CHEMBL4414023)
IC50
105±n/a nM
Citation
Sarver, P; Acker, M; Bagdanoff, JT; Chen, Z; Chen, YN; Chan, H; Firestone, B; Fodor, M; Fortanet, J; Hao, H; Hentemann, M; Kato, M; Koenig, R; LaBonte, LR; Liu, G; Liu, S; Liu, C; McNeill, E; Mohseni, M; Sendzik, M; Stams, T; Spence, S; Tamez, V; Tichkule, R; Towler, C; Wang, H; Wang, P; Williams, SL; Yu, B; LaMarche, MJ 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors. J Med Chem 62:1793-1802 (2019) [PubMed] Article
More Info.:
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:
BDBM50530243
Synonyms:
CHEMBL4440701
Type:
Small organic molecule
Emp. Form.:
C17H21Cl2N5O
Mol. Mass.:
382.288
SMILES:
Cn1c(nc(N)c(-c2cccc(Cl)c2Cl)c1=O)N1CCC(C)(N)CC1 |(59.5,-11.79,;59.5,-10.26,;60.84,-9.48,;60.83,-7.94,;59.5,-7.18,;59.49,-5.64,;58.17,-7.95,;56.84,-7.18,;55.51,-7.95,;54.17,-7.18,;54.17,-5.64,;55.5,-4.87,;55.5,-3.33,;56.84,-5.63,;58.17,-4.86,;58.17,-9.49,;56.84,-10.26,;62.17,-10.25,;62.17,-11.79,;63.5,-12.55,;64.83,-11.79,;66.16,-11.01,;66.17,-12.56,;64.83,-10.25,;63.5,-9.47,)|