Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM541862
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
6.45±n/a nM
Citation
 Boss, C; Bur, D; Cren, S; Kimmerlin, T; Lotz-Jenne, C; Pothier, J; Tidten-Luksch, N Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase US Patent  US11267824 Publication Date 3/8/2022 
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:
BDBM541862
Synonyms:
US11267824, Example 73a
Type:
Small organic molecule
Emp. Form.:
C21H24N2OS
Mol. Mass.:
352.493
SMILES:
O[C@H](C1CCC(CC1)c1ccccc1)c1c(sc2cncn12)C1CC1 |r,wD:1.0,(.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;-2.46,-5.74,;-3.96,-6.06,;-4.99,-4.92,;-4.52,-3.45,;-3.01,-3.13,;-6.5,-5.24,;-6.98,-6.7,;-8.48,-7.02,;-9.51,-5.88,;-9.04,-4.41,;-7.53,-4.09,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
Structure:
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