Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM503535
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
49.0±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:
BDBM503535
Synonyms:
4-{[cis-3- (carbamoylamino)cyclobutyl]oxy}- N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7-yl]-N'-hydroxy-1,2,5- oxadiazole-3-carboximidamide | US11034661, Example 42
Type:
Small organic molecule
Emp. Form.:
C16H17FN6O4
Mol. Mass.:
376.3424
SMILES:
NC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:6.8,4.3,wD:16.17,(9.26,2.7,;7.77,2.3,;6.68,3.39,;7.37,.81,;5.88,.42,;5.11,-.92,;3.78,-.15,;4.55,1.19,;2.29,-.55,;1.2,.54,;1.52,2.05,;.19,2.82,;-.95,1.79,;-.33,.38,;-1.1,-.95,;-2.63,-1.11,;-3.72,-.02,;-3.72,1.52,;-5.26,1.52,;-6.59,2.29,;-7.92,1.52,;-7.92,-.02,;-9.26,-.79,;-6.59,-.79,;-5.26,-.02,;-.47,-2.36,;-1.62,-3.39,)|
Structure:
Search PDB for entries with ligand similarity: