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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503536
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
36.6±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:
BDBM503536
Synonyms:
N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7-yl]-N'-hydroxy-4-{[cis- 3- (sulfamoylamino)cyclobutyl]oxy}- 1,2,5-oxadiazole-3-carboximidamide | US11034661, Example 43
Type:
Small organic molecule
Emp. Form.:
C15H17FN6O5S
Mol. Mass.:
412.396
SMILES:
NS(=O)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:7.9,5.4,wD:17.18,(9.4,1.1,;8.32,.01,;9.4,-1.08,;7.23,-1.08,;7.23,1.1,;5.74,.7,;4.97,-.63,;3.64,.14,;4.41,1.47,;2.15,-.26,;1.06,.83,;1.38,2.33,;.05,3.1,;-1.1,2.07,;-.47,.67,;-1.24,-.67,;-2.77,-.83,;-3.86,.26,;-3.86,1.8,;-5.4,1.8,;-6.74,2.57,;-8.07,1.8,;-8.07,.26,;-9.4,-.51,;-6.74,-.51,;-5.4,.26,;-.62,-2.07,;-1.76,-3.1,)|
Structure:
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