Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM50530250
Substrate
n/a
Meas. Tech.
ChEMBL_1911676 (CHEMBL4414122)
IC50
22±n/a nM
Citation
 Bagdanoff, JT; Chen, Z; Acker, M; Chen, YN; Chan, H; Dore, M; Firestone, B; Fodor, M; Fortanet, J; Hentemann, M; Kato, M; Koenig, R; LaBonte, LR; Liu, S; Mohseni, M; Ntaganda, R; Sarver, P; Smith, T; Sendzik, M; Stams, T; Spence, S; Towler, C; Wang, H; Wang, P; Williams, SL; LaMarche, MJ Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors. J Med Chem 62:1781-1792 (2019) [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 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:
BDBM50530250
Synonyms:
CHEMBL4436233 | US10975080, Example 32
Type:
Small organic molecule
Emp. Form.:
C21H27ClN8O2
Mol. Mass.:
458.944
SMILES:
CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
Structure:
Search PDB for entries with ligand similarity: