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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM483603
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
81.6±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:
BDBM483603
Synonyms:
N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-yl]-N''-hydroxy-4-({cis-3-[(S- methylsulfonimidoyl)amino]cyclobutyl} oxy)-1,2,5-oxadiazole-3-carboximidamide (isomer 1) | US10927086, Example 61 | US10927086, Example 62
Type:
Small organic molecule
Emp. Form.:
C16H19FN6O4S
Mol. Mass.:
410.423
SMILES:
CS(=N)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r,wU:7.9,5.4,wD:17.18,(9.22,-.62,;7.88,-1.39,;8.65,-2.72,;7.11,-.05,;6.55,-2.16,;5.22,-1.39,;3.73,-1.79,;3.33,-.3,;4.82,.1,;2,.47,;.79,-.25,;.87,-1.79,;-.57,-2.34,;-1.54,-1.15,;-.7,.15,;-1.1,1.63,;-2.59,2.03,;-3.68,.94,;-3.68,-.6,;-5.22,-.6,;-6.55,-1.37,;-7.88,-.6,;-7.88,.94,;-9.22,1.71,;-6.55,1.71,;-5.22,.94,;-.01,2.72,;1.48,2.32,)|
Structure:
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