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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM50054344
Substrate
n/a
Meas. Tech.
ChEMBL_1928760 (CHEMBL4431936)
IC50
200±n/a nM
Citation
 Garcia Fortanet, J; Chen, CH; Chen, YN; Chen, Z; Deng, Z; Firestone, B; Fekkes, P; Fodor, M; Fortin, PD; Fridrich, C; Grunenfelder, D; Ho, S; Kang, ZB; Karki, R; Kato, M; Keen, N; LaBonte, LR; Larrow, J; Lenoir, F; Liu, G; Liu, S; Lombardo, F; Majumdar, D; Meyer, MJ; Palermo, M; Perez, L; Pu, M; Ramsey, T; Sellers, WR; Shultz, MD; Stams, T; Towler, C; Wang, P; Williams, SL; Zhang, JH; LaMarche, MJ Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. J Med Chem 59:7773-82 (2016) [PubMed]  Article 
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 1D | Protein-tyrosine phosphatase 2C | SH-PTP2 | SH-PTP3 | SHP-2 | SHPTP2 | Shp2
Type:
PROTEIN
Mol. Mass.:
68018.07
Organism:
Homo sapiens
Description:
ChEMBL_11523
Residue:
593
Sequence:
MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
  
Inhibitor
Name:
BDBM50054344
Synonyms:
CHEMBL3319356 | US9522881, 11a-1 L97M74 | US9844535, ID 11a-1 L97M74
Type:
Small organic molecule
Emp. Form.:
C28H20IN3O5S
Mol. Mass.:
637.445
SMILES:
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Structure:
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