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Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50567019
Substrate
n/a
Meas. Tech.
ChEMBL_2102220 (CHEMBL4810616)
IC50
190±n/a nM
Citation
 Kozlova, A; Thabault, L; Liberelle, M; Klaessens, S; Prévost, JRC; Mathieu, C; Pilotte, L; Stroobant, V; Van den Eynde, B; Frédérick, R Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase. J Med Chem 64:10967-10980 (2021) [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:
BDBM50567019
Synonyms:
CHEMBL4871568
Type:
Small organic molecule
Emp. Form.:
C16H11F3N4
Mol. Mass.:
316.2805
SMILES:
FC(F)(F)Cn1nnc2ccc(cc12)-c1c[nH]c2ccccc12
Structure:
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