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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503558
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:
BDBM503558
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)-1- hydroxycyclopropanecarboxamide | US11034661, Example 65
Type:
Small organic molecule
Emp. Form.:
C19H20FN5O5
Mol. Mass.:
417.391
SMILES:
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1O[C@@H]1C[C@@H](C1)NC(=O)C1(O)CC1 |r,wU:19.21,21.26,wD:4.3,(-2.14,-3.52,;-1.37,-2.18,;-2.14,-.85,;-3.68,-.85,;-4.45,.48,;-4.06,1.97,;-5.54,2.37,;-6.63,3.46,;-8.12,3.06,;-8.52,1.57,;-10.01,1.17,;-7.43,.48,;-5.94,.88,;-1.37,.48,;-2,1.89,;-.86,2.92,;.48,2.15,;.16,.64,;1.25,-.44,;2.58,.33,;4.07,-.07,;4.47,1.41,;2.98,1.81,;5.8,2.18,;7.13,1.41,;7.13,-.13,;8.47,2.18,;7.38,3.27,;10.01,2.18,;9.24,3.52,)|
Structure:
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