Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50556074
Substrate
n/a
Meas. Tech.
ChEMBL_2054792 (CHEMBL4709793)
IC50
59±n/a nM
Citation
 Pan, S; Zhou, Y; Wang, Q; Wang, Y; Tian, C; Wang, T; Huang, L; Nan, J; Li, L; Yang, S Discovery and structure-activity relationship studies of 1-aryl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione derivatives as potent dual inhibitors of indoleamine 2,3-dioxygenase 1 (IDO1) and trytophan 2,3-dioxygenase (TDO). Eur J Med Chem 207:0 (2020) [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:
BDBM50556074
Synonyms:
CHEMBL4787695
Type:
Small organic molecule
Emp. Form.:
C16H6ClF2N3O2
Mol. Mass.:
345.688
SMILES:
Fc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: