Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50584093
Substrate
n/a
Meas. Tech.
ChEMBL_2158975 (CHEMBL5043725)
IC50
2395±n/a nM
Citation
 Yeh, TK; Song, JS; Chang, PW; Yu, JC; Chang, CH; Liao, FY; Tien, YW; Kuppusamy, R; Li, AS; Chen, CH; Chen, CW; Lin, LM; Chang, HH; Huang, CH; Yao, JY; Wu, MH; Peng, YH; Hsueh, CC; Hsiao, WC; Chen, PH; Lin, CY; Hsieh, SH; Shih, C; Hung, MS; Wu, SY; Kuo, CC; Ueng, SH Discovery and development of a novel N-(3-bromophenyl)-{[(phenylcarbamoyl)amino]methyl}-N-hydroxythiophene-2-carboximidamide indoleamine 2,3-dioxygenase inhibitor using knowledge-based drug design. Eur J Med Chem 229:0 (2022) [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:
BDBM50584093
Synonyms:
CHEMBL5087302
Type:
Small organic molecule
Emp. Form.:
C19H16BrFN4O2S
Mol. Mass.:
463.323
SMILES:
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1
Structure:
Search PDB for entries with ligand similarity: