Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50514040
Substrate
n/a
Meas. Tech.
ChEMBL_1855406 (CHEMBL4356135)
Ki
120±n/a nM
Citation
 Yang, D; Zhang, S; Fang, X; Guo, L; Hu, N; Guo, Z; Li, X; Yang, S; He, JC; Kuang, C; Yang, Q -Benzyl/Aryl Substituted Tryptanthrin as Dual Inhibitors of Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase. J Med Chem 62:9161-9174 (2019) [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:
BDBM50514040
Synonyms:
CHEMBL4436480
Type:
Small organic molecule
Emp. Form.:
C20H17FN4O2
Mol. Mass.:
364.373
SMILES:
Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCNCC4)cc3c(=O)n-21
Structure:
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