Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347044
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:
BDBM347044
Synonyms:
US10202388, Compound 62A
Type:
Small organic molecule
Emp. Form.:
C28H30N2O
Mol. Mass.:
410.5506
SMILES:
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(C(C3)C2)c1ccccc1 |w:21.30,TLB:1:15:21:18.23.17,23:22:20:18.16.17,THB:23:17:20:21.22.24,16:15:21:18.23.17,16:17:21:15.20.24,TEB:25:21:20:18.16.17,25:21:15.20.24:18.23.17,25:21:18:15.20.16,(-6.52,-.3,;-6.52,1.24,;-7.85,2.01,;-9.19,1.24,;-10.59,1.86,;-11.07,3.33,;-12.58,3.65,;-13.61,2.5,;-13.13,1.04,;-11.63,.72,;-10.86,-.62,;-11.02,-2.15,;-9.61,-2.77,;-8.58,-1.63,;-9.35,-.3,;-5.19,2.01,;-5.19,3.55,;-3.8,4.58,;-2.76,3.6,;-2.76,1.68,;-4.1,.92,;-1.22,1.68,;-2.31,2.77,;-2.31,4.31,;-3.65,2.01,;.27,1.28,;.67,-.21,;2.15,-.61,;3.24,.48,;2.84,1.97,;1.36,2.37,)|
Structure:
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