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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503530
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
83.4±n/a nM
Citation
 Guo, L; Han, Y; Liu, K; He, S; Kozlowski, J; Nargund, R; Yu, W; Zhang, H; Pu, Q; Li, D; Achab, A; Li, G Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors US Patent  US11034661 Publication Date 6/15/2021 
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:
BDBM503530
Synonyms:
N-{trans-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-trien- 7-yl]-N'-hydroxycarbamimidoyl}- 1,2,5-oxadiazol-3- yl)oxy]cyclobutyl}acetamide | US11034661, Example 37
Type:
Small organic molecule
Emp. Form.:
C17H18FN5O4
Mol. Mass.:
375.3543
SMILES:
CC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:4.3,wD:16.17,6.8,(9.45,-1.09,;7.97,-.69,;7.57,.8,;6.88,-1.78,;5.39,-1.38,;4.06,-2.15,;3.29,-.81,;4.62,-.04,;1.8,-.41,;.71,.67,;1.03,2.18,;-.3,2.95,;-1.45,1.92,;-.82,.51,;-1.59,-.82,;-3.13,-.82,;-3.9,.51,;-3.5,2,;-4.99,2.4,;-6.08,3.49,;-7.57,3.09,;-7.97,1.6,;-9.45,1.2,;-6.88,.51,;-5.39,.91,;-.82,-2.15,;-1.59,-3.49,)|
Structure:
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