Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347012
Substrate
n/a
Meas. Tech.
IDO1 Enzymatic Assay
IC50
<100±n/a nM
Citation
 Li, Q; Gao, D Fused-ring compounds, pharmaceutical composition and uses thereof US Patent  US10202388 Publication Date 2/12/2019 
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:
BDBM347012
Synonyms:
US10202388, Compound 11A
Type:
Small organic molecule
Emp. Form.:
C23H28N2O2
Mol. Mass.:
364.4806
SMILES:
CC1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12 |TLB:2:1:4:9.10.11,2:1:9.8.11:4.5.6,12:9:1:4.5.6,THB:10:9:1:4.5.6,10:5:1:9.8.11,8:9:4:1.7.6,8:7:4:9.10.11,0:1:9.8.11:4.5.6,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;1.69,.82,;1.69,2.36,;3.01,.05,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
Structure:
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