Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 11
Ligand
BDBM50556724
Substrate
n/a
Meas. Tech.
ChEMBL_2057037 (CHEMBL4712038)
IC50
>100000±n/a nM
Citation
 Mostinski, Y; Heynen, GJJE; López-Alberca, MP; Paul, J; Miksche, S; Radetzki, S; Schaller, D; Shanina, E; Seyffarth, C; Kolomeets, Y; Ziebart, N; de Schryver, J; Oestreich, S; Neuenschwander, M; Roske, Y; Heinemann, U; Rademacher, C; Volkamer, A; von Kries, JP; Birchmeier, W; Nazaré, M From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement. J Med Chem 63:14780-14804 (2020) [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:
BDBM50556724
Synonyms:
CHEMBL4741934
Type:
Small organic molecule
Emp. Form.:
C22H16N4O6S
Mol. Mass.:
464.451
SMILES:
OS(=O)(=O)c1ccc(NC(=O)c2[nH]c(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Structure:
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