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Target
Growth factor receptor-bound protein 2
Ligand
BDBM50085867
Substrate
n/a
Meas. Tech.
ChEMBL_2149103 (CHEMBL5033501)
IC50
22±n/a nM
Citation
 Xiao, T; Sun, L; Zhang, M; Li, Z; Haura, EB; Schonbrunn, E; Ji, H Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain. Bioorg Med Chem Lett 51:0 (2021) [PubMed]  Article 
Target
Name:
Growth factor receptor-bound protein 2
Synonyms:
ASH | GRB2 | GRB2 adapter protein | GRB2_HUMAN | Grb2-SH2 | Growth factor receptor-bound protein 2
Type:
Protein
Mol. Mass.:
25205.04
Organism:
Homo sapiens (Human)
Description:
P62993
Residue:
217
Sequence:
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
  
Inhibitor
Name:
BDBM50085867
Synonyms:
2-(4-((S)-3-(1-((S)-4-amino-1-(3-(naphthalen-1-yl)propylamino)-1,4-dioxobutan-2-ylcarbamoyl)cyclohexylamino)-2-(carboxyformamido)-3-oxopropyl)phenyl)malonic acid | 2-{4-[(S)-2-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(oxalyl-amino)-ethyl]-phenyl}-malonic acid | 2-{4-[2-{(S)-1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(oxalyl-amino)-ethyl]-phenyl}-malonic acid | 2-{4-[2-{1-[2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(oxalyl-amino)-ethyl]-phenyl}-malonic acid | CHEMBL303150
Type:
Small organic molecule
Emp. Form.:
C38H43N5O11
Mol. Mass.:
745.7749
SMILES:
NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 |r|
Structure:
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