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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM483617
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
49.5±n/a nM
Citation
 Liu, K; Clausen, D; Guo, L; Han, Y; He, S; Kozlowski, J; Li, D; Pu, Q; Yu, W; Zhang, H Substituted sulfoximine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors US Patent  US10927086 Publication Date 2/23/2021 
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:
BDBM483617
Synonyms:
N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-yl]-N''-hydroxy-4-{[trans-3-(S- methylsulfonimidoyl)cyclobutyl]amino}- 1,2,5-oxadiazole-3-carboximidamide (isomer1) | US10927086, Example 72 | US10927086, Example 73
Type:
Small organic molecule
Emp. Form.:
C16H19FN6O3S
Mol. Mass.:
394.424
SMILES:
C[S@](=N)(=O)C1C[C@@H](C1)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r,wU:1.0,wD:16.17,6.8,(8.59,-2.62,;7.25,-1.85,;6.48,-3.18,;8.02,-.51,;5.92,-1.08,;4.43,-1.48,;4.03,.01,;5.52,.41,;2.7,.78,;1.37,.01,;1.29,-1.53,;-.2,-1.92,;-1.04,-.63,;-.07,.56,;-.47,2.05,;-1.96,2.45,;-3.05,1.36,;-3.05,-.18,;-4.59,-.18,;-5.92,-.95,;-7.25,-.18,;-7.25,1.36,;-8.59,2.13,;-5.92,2.13,;-4.59,1.36,;.62,3.14,;2.16,3.18,)|
Structure:
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