Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347041
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:
BDBM347041
Synonyms:
US10202388, Compound 55
Type:
Small organic molecule
Emp. Form.:
C29H31FN4O2
Mol. Mass.:
486.5804
SMILES:
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NC(=O)Nc1ccccc1)C(C3)C2 |w:22.26,TLB:1:16:19.18.34:22,THB:17:16:19.18.34:22,17:18:16.35.21:22,35:16:19:33.34.22,35:33:19:16.17.21,TEB:23:22:19:16.17.21,23:22:19.17.18:21,23:22:16.35.21:19.18.34,(-2.35,-.56,;-2.35,.98,;-3.68,1.75,;-5.02,.98,;-6.16,2.01,;-7.49,1.24,;-8.83,2.01,;-8.83,3.55,;-7.49,4.32,;-6.16,3.55,;-4.83,4.32,;-7.17,-.27,;-7.8,-1.67,;-6.66,-2.7,;-5.32,-1.93,;-5.64,-.43,;-1.02,1.75,;-1.02,3.29,;.31,4.06,;1.65,3.29,;1.65,1.75,;.31,.98,;2.48,-.15,;3.97,-.55,;5.06,.54,;4.66,2.03,;6.54,.14,;6.94,-1.35,;5.85,-2.44,;6.25,-3.92,;7.74,-4.32,;8.83,-3.23,;8.43,-1.74,;1.08,.49,;1.07,2.89,;-.12,-.17,)|
Structure:
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