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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503531
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
67.8±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:
BDBM503531
Synonyms:
N-{cis-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}-2- hydroxyacetamide | US11034661, Example 38
Type:
Small organic molecule
Emp. Form.:
C17H18FN5O5
Mol. Mass.:
391.3537
SMILES:
OCC(=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,(9.97,2.1,;8.64,2.87,;7.3,2.1,;7.3,.56,;5.97,2.87,;4.64,2.1,;4.24,.61,;2.75,1.01,;3.15,2.5,;1.42,.24,;.22,1.21,;.3,2.74,;-1.14,3.3,;-2.11,2.1,;-1.27,.81,;-1.82,-.63,;-3.34,-.87,;-4.43,.22,;-4.43,1.76,;-5.97,1.76,;-7.3,2.53,;-8.64,1.76,;-8.64,.22,;-9.97,-.55,;-7.3,-.55,;-5.97,.22,;-1.05,-1.96,;-1.82,-3.3,)|
Structure:
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