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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503559
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
167±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:
BDBM503559
Synonyms:
N-((1R,3s)-3-((4-((Z)-N-((S)-4- fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-7-yl)-N'- hydroxycarbamimidoyl)- 1,2,5-oxadiazol-3- yl)oxy)cyclobutyl)-2- hydroxy-2-methylpropanamide | US11034661, Example 66
Type:
Small organic molecule
Emp. Form.:
C19H22FN5O5
Mol. Mass.:
419.4069
SMILES:
CC(C)(O)C(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:9.11,7.6,wD:19.20,(9.78,1.1,;8.69,2.18,;9.46,3.52,;7.6,3.27,;7.36,1.41,;7.36,-.13,;6.02,2.18,;4.69,1.41,;4.29,-.07,;2.8,.33,;3.2,1.81,;1.47,-.44,;.38,.64,;.7,2.15,;-.63,2.92,;-1.78,1.89,;-1.15,.48,;-1.92,-.85,;-3.46,-.85,;-4.23,.48,;-3.83,1.97,;-5.32,2.37,;-6.41,3.46,;-7.89,3.06,;-8.29,1.57,;-9.78,1.17,;-7.2,.48,;-5.72,.88,;-1.15,-2.18,;-1.92,-3.52,)|
Structure:
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