Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM347023
Substrate
n/a
Meas. Tech.
TDO2 Enzymatic Assay
IC50
300±n/a nM
Citation
 Li, Q; Gao, D Fused-ring compounds, pharmaceutical composition and uses thereof US Patent  US10202388 Publication Date 2/12/2019 
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:
BDBM347023
Synonyms:
US10202388, Compound 23A-3
Type:
Small organic molecule
Emp. Form.:
C22H25FN2O2
Mol. Mass.:
368.4445
SMILES:
O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:1.0,wD:22.26,TLB:23:22:19:16.17.21,23:22:16.26.21:19.18.25,1:16:22:19.18.25,THB:17:16:22:19.18.25,17:18:22:16.26.21,26:16:19:22.24.25,26:24:19:16.17.21,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
Structure:
Search PDB for entries with ligand similarity: