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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM483619
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
90.4±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:
BDBM483619
Synonyms:
N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-yl]-N''-hydroxy-4-{[6-(S- methylsulfonimidoyl)spiro[3.3]heptan-2- yl]amino}-1,2,5-oxadiazole-3- carboximidamide (isomer 1) | US10927086, Example 74 | US10927086, Example 75
Type:
Small organic molecule
Emp. Form.:
C19H23FN6O3S
Mol. Mass.:
434.488
SMILES:
CS(=N)(=O)C1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1 |r,wD:18.19,(9.53,-3.16,;8.2,-2.39,;7.43,-3.73,;8.97,-1.06,;6.86,-1.62,;5.38,-2.02,;4.98,-.53,;3.49,-.93,;3.09,.56,;4.58,.95,;1.76,1.33,;.42,.56,;.34,-.98,;-1.14,-1.38,;-1.98,-.09,;-1.01,1.11,;-1.41,2.6,;-2.9,2.99,;-3.99,1.91,;-3.99,.37,;-5.53,.37,;-6.86,-.4,;-8.2,.37,;-8.2,1.91,;-9.53,2.68,;-6.86,2.68,;-5.53,1.91,;-.32,3.68,;1.22,3.73,;6.46,-.13,)|
Structure:
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