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Target
SH2B adapter protein 2
Ligand
BDBM484786
Substrate
n/a
Meas. Tech.
Allosteric Inhibition Assay
IC50
<50±n/a nM
Citation
 Taylor, AM; Lescarbeau, A; Kelley, EH; Shortsleeves, KC; Walters, WP; Murcko, MA; Giordanetto, F; Therrien, E SHP2 phosphatase inhibitors and methods of use thereof US Patent  US10934302 Publication Date 3/2/2021 
Target
Name:
SH2B adapter protein 2
Synonyms:
APS | Adapter protein with pleckstrin homology and Src homology 2 domains | SH2 and PH domain-containing adapter protein APS | SH2B2 | SH2B2_HUMAN
Type:
Protein
Mol. Mass.:
67733.52
Organism:
Human
Description:
O14492
Residue:
632
Sequence:
MNGAGPGPAAAAPVPVPVPVPDWRQFCELHAQAAAVDFAHKFCRFLRDNPAYDTPDAGASFSRHFAANFLDVFGEEVRRVLVAGPTTRGAAVSAEAMEPELADTSALKAAPYGHSRSSEDVSTHAATKARVRKGFSLRNMSLCVVDGVRDMWHRRASPEPDAAAAPRTAEPRDKWTRRLRLSRTLAAKVELVDIQREGALRFMVADDAAAGSGGSAQWQKCRLLLRRAVAEERFRLEFFVPPKASRPKVSIPLSAIIEVRTTMPLEMPEKDNTFVLKVENGAEYILETIDSLQKHSWVADIQGCVDPGDSEEDTELSCTRGGCLASRVASCSCELLTDAVDLPRPPETTAVGAVVTAPHSRGRDAVRESLIHVPLETFLQTLESPGGSGSDSNNTGEQGAETDPEAEPELELSDYPWFHGTLSRVKAAQLVLAGGPRNHGLFVIRQSETRPGEYVLTFNFQGKAKHLRLSLNGHGQCHVQHLWFQSVLDMLRHFHTHPIPLESGGSADITLRSYVRAQDPPPEPGPTPPAAPASPACWSDSPGQHYFSSLAAAACPPASPSDAAGASSSSASSSSAASGPAPPRPVEGQLSARSRSNSAERLLEAVAATAAEEPPEAAPGRARAVENQYSFY
  
Inhibitor
Name:
BDBM484786
Synonyms:
US10934302, Example 35
Type:
Small organic molecule
Emp. Form.:
C31H33N9O
Mol. Mass.:
547.6534
SMILES:
NC1c2ccccc2CC11CCN(CC1)c1cnc2c(n[nH]c2n1)N1CCN([C@H]2C[C@H](O)C2)c2cc(ccc12)C#N |r,wU:28.32,wD:30.35,(-1.3,12.54,;-2.44,11.51,;-3.95,11.83,;-4.72,13.16,;-6.26,13.16,;-7.03,11.83,;-6.26,10.49,;-4.72,10.49,;-3.69,9.35,;-2.28,9.98,;-2.28,8.44,;-.95,7.67,;.39,8.44,;.39,9.98,;-.95,10.75,;1.72,7.67,;1.72,6.13,;3.05,5.36,;4.39,6.13,;5.85,5.65,;6.76,6.9,;5.85,8.14,;4.39,7.67,;3.05,8.44,;6.33,4.19,;7.83,3.87,;8.31,2.4,;7.28,1.26,;7.76,-.21,;9.13,-.91,;8.43,-2.28,;8.9,-3.74,;7.06,-1.58,;5.77,1.58,;4.74,.43,;3.24,.75,;2.76,2.22,;3.79,3.36,;5.3,3.04,;2.21,-.39,;1.12,-1.48,)|
Structure:
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