Reaction Details Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM347013
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:
BDBM347013
Synonyms:
US10202388, Compound 11A-2
Type:
Small organic molecule
Emp. Form.:
C23H28N2O2
Mol. Mass.:
364.4806
SMILES:
C[C@@]1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12 |r,wU:1.0,wD:1.1,TLB:11:9:6:1.3.4,2:1:6:9.10.8,2:1:9.11.8:6.5.4,12:9:1:6.5.4,THB:10:9:1:6.5.4,10:5:1:9.11.8,11:3:6:9.10.8,0:1:9.11.8:6.5.4,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;1.69,.82,;1.69,2.36,;2.58,-1.1,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
Structure:
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