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Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM50614987
Substrate
n/a
Meas. Tech.
ChEMBL_2299542
IC50
17±n/a nM
Citation
 Petrocchi, A; Grillo, A; Ferrante, L; Randazzo, P; Prandi, A; De Matteo, M; Iaccarino, C; Bisbocci, M; Cellucci, A; Alli, C; Nibbio, M; Pucci, V; Amaudrut, J; Montalbetti, C; Toniatti, C; Di Fabio, R Discovery of a Novel Series of Potent SHP2 Allosteric Inhibitors. ACS Med Chem Lett 14:645-651 (2023) [PubMed] 
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:
BDBM50614987
Synonyms:
CHEMBL5271480
Type:
Small organic molecule
Emp. Form.:
C23H21F3N8S
Mol. Mass.:
498.527
SMILES:
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
Structure:
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