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Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50514037
Substrate
n/a
Meas. Tech.
ChEMBL_2261540 (CHEMBL5216551)
IC50
760±n/a nM
Citation
 He, G; Wan, S; Wu, Y; Chu, Z; Shen, H; Zhang, S; Chen, L; Bao, Z; Gu, S; Huang, J; Huang, L; Gong, G; Zou, Y; Zhu, Q; Xu, Y Discovery of the First Selective IDO2 Inhibitor As Novel Immunotherapeutic Avenues for Rheumatoid Arthritis. J Med Chem 65:14348-14365 (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:
Homo sapiens (Human)
Description:
ChEMBL_825691
Residue:
406
Sequence:
MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHYRDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD
  
Inhibitor
Name:
BDBM50514037
Synonyms:
CHEMBL4536439
Type:
Small organic molecule
Emp. Form.:
C20H17FN4O2
Mol. Mass.:
364.373
SMILES:
CN1CCN(CC1)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Structure:
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