Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347043
Substrate
n/a
Meas. Tech.
IDO1 Enzymatic Assay
IC50
<100±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:
Indoleamine 2,3-dioxygenase 1
Synonyms:
I23O1_HUMAN | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine 2,3-dioxygenase | Indoleamine-pyrrole 2,3-dioxygenase
Type:
Enzyme
Mol. Mass.:
45330.80
Organism:
Homo sapiens (Human)
Description:
P14902
Residue:
403
Sequence:
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
  
Inhibitor
Name:
BDBM347043
Synonyms:
US10202388, Compound 61A
Type:
Small organic molecule
Emp. Form.:
C24H29FN2O3
Mol. Mass.:
412.4971
SMILES:
OCCO[C@H]1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12 |r,wU:4.3,TLB:4:5:9.10.8:12,8:9:13:6.12.7,8:7:13:4.9.10,THB:4:9:13.5.6:12,3:4:13:6.12.7,(9.97,-4.05,;8.88,-5.13,;7.39,-4.74,;6.3,-5.83,;4.81,-5.43,;3.27,-5.43,;3.27,-3.51,;2.24,-2.53,;3.72,-2.8,;3.72,-4.34,;2.39,-5.1,;.85,-5.1,;.85,-3.56,;1.94,-6.19,;-.49,-5.87,;-.49,-7.41,;-1.82,-5.1,;-3.15,-5.87,;-4.62,-5.39,;-5.52,-6.64,;-7.06,-6.48,;-7.68,-5.07,;-6.78,-3.83,;-5.25,-3.99,;-4.48,-2.65,;-4.62,-7.89,;-4.62,-9.43,;-3.15,-9.9,;-2.25,-8.66,;-3.15,-7.41,)|
Structure:
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