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Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50568046
Substrate
n/a
Meas. Tech.
ChEMBL_2104317 (CHEMBL4812820)
IC50
17650±n/a nM
Citation
 Capochiani de Iudicibus, R; Tomek, P; Palmer, BD; Tijono, SM; Flanagan, JU; Ching, LM Parallel discovery of selective and dual inhibitors of tryptophan dioxygenases IDO1 and TDO2 with a newly-modified enzymatic assay. Bioorg Med Chem 39:0 (2021) [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:
BDBM50568046
Synonyms:
CHEMBL2000037
Type:
Small organic molecule
Emp. Form.:
C18H20ClN3O3
Mol. Mass.:
361.823
SMILES:
Cl.CN(C)Cc1cc(=O)n(C)c2c3OCn4c3c(cc12)c(C)cc4=O
Structure:
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