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Target
REST corepressor 1
Ligand
BDBM50586370
Substrate
n/a
Meas. Tech.
ChEMBL_2168533 (CHEMBL5053592)
Ki
60±n/a nM
Citation
 Kitagawa, H; Kikuchi, M; Sato, S; Watanabe, H; Umezawa, N; Kato, M; Hisamatsu, Y; Umehara, T; Higuchi, T Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J Med Chem 64:3707-3719 (2021) [PubMed]  Article 
Target
Name:
REST corepressor 1
Synonyms:
KIAA0071 | Protein CoREST | RCOR | RCOR1 | RCOR1_HUMAN | REST corepressor 1
Type:
PROTEIN
Mol. Mass.:
53329.34
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108118
Residue:
485
Sequence:
MPAMVEKGPEVSGKRRGRNNAAASASAAAASAAASAACASPAATAASGAAASSASAAAASAAAAPNNGQNKSLAAAAPNGNSSSNSWEEGSSGSSSDEEHGGGGMRVGPQYQAVVPDFDPAKLARRSQERDNLGMLVWSPNQNLSEAKLDEYIAIAKEKHGYNMEQALGMLFWHKHNIEKSLADLPNFTPFPDEWTVEDKVLFEQAFSFHGKTFHRIQQMLPDKSIASLVKFYYSWKKTRTKTSVMDRHARKQKREREESEDELEEANGNNPIDIEVDQNKESKKEVPPTETVPQVKKEKHSTQAKNRAKRKPPKGMFLSQEDVEAVSANATAATTVLRQLDMELVSVKRQIQNIKQTNSALKEKLDGGIEPYRLPEVIQKCNARWTTEEQLLAVQAIRKYGRDFQAISDVIGNKSVVQVKNFFVNYRRRFNIDEVLQEWEAEHGKEETNGPSNQKPVKSPDNSIKMPEEEDEAPVLDVRYASAS
  
Inhibitor
Name:
BDBM50586370
Synonyms:
CHEMBL5084197
Type:
Small organic molecule
Emp. Form.:
C135H237N67O27S4
Mol. Mass.:
3359.019
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCn2cc(COc3cc(OCc4cn(CCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)nn4)cc(c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)nn2 |r|
Structure:
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