Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50590773
Substrate
n/a
Meas. Tech.
ChEMBL_2197712 (CHEMBL5110228)
IC50
78±n/a nM
Citation
 Huo, C; Luo, Z; Ning, X; Kang, X; Yan, Q; Guo, Y; Li, G; Wang, Z; Li, Y; Qian, S 4,6-Disubstituted-1H-Indazole-4-Amine derivatives with immune-chemotherapy effect and in vivo antitumor activity. Eur J Med Chem 241:0 (2022) [PubMed] 
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:
Human
Description:
ChEMBL_825691
Residue:
406
Sequence:
MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHYRDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD
  
Inhibitor
Name:
BDBM50590773
Synonyms:
CHEMBL5177466
Type:
Small organic molecule
Emp. Form.:
C15H12FN3O
Mol. Mass.:
269.2737
SMILES:
NC(=O)Nc1ccc(cc1)-c1c[nH]c2cc(F)ccc12
Structure:
Search PDB for entries with ligand similarity: