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Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50127204
Substrate
n/a
Meas. Tech.
ChEMBL_1524691 (CHEMBL3631085)
IC50
108±n/a nM
Citation
 Wu, JS; Lin, SY; Liao, FY; Hsiao, WC; Lee, LC; Peng, YH; Hsieh, CL; Wu, MH; Song, JS; Yueh, A; Chen, CH; Yeh, SH; Liu, CY; Lin, SY; Yeh, TK; Hsu, JT; Shih, C; Ueng, SH; Hung, MS; Wu, SY Identification of Substituted Naphthotriazolediones as Novel Tryptophan 2,3-Dioxygenase (TDO) Inhibitors through Structure-Based Virtual Screening. J Med Chem 58:7807-19 (2015) [PubMed]  Article 
Target
Name:
Tryptophan 2,3-dioxygenase
Synonyms:
T23O_HUMAN | TDO | TDO2 | TO | TRPO | Tryptamin 2,3-dioxygenase | Tryptophan oxygenase | Tryptophan pyrrolase | Tryptophanase
Type:
PROTEIN
Mol. Mass.:
47874.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_825691
Residue:
406
Sequence:
MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHYRDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD
  
Inhibitor
Name:
BDBM50127204
Synonyms:
CHEMBL3628602
Type:
Small organic molecule
Emp. Form.:
C23H21N5O3
Mol. Mass.:
415.4445
SMILES:
CN1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Structure:
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