Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347036
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:
BDBM347036
Synonyms:
US10202388, Compound 46
Type:
Small organic molecule
Emp. Form.:
C23H28FN3O3S
Mol. Mass.:
445.55
SMILES:
CS(=O)(=O)NC1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12 |w:5.4,TLB:15:12:5:7.8.9,THB:13:12:5:7.8.9,13:8:5:12.11.14,11:12:7:5.10.9,11:10:7:12.13.14,TEB:4:5:7:12.13.14,4:5:12.11.14:7.8.9,4:5:7.13.8:14,(8.09,-.4,;6.76,.37,;7.53,1.7,;5.99,1.7,;5.42,-.4,;3.93,-0,;3.1,1.25,;3.1,2.79,;1.77,3.56,;2.52,2.39,;2.54,-.01,;1.34,-.68,;.44,1.25,;.44,2.79,;1.77,.48,;-.89,.48,;-.89,-1.06,;-2.23,1.25,;-3.56,.48,;-5.03,.95,;-5.93,-.29,;-7.46,-.13,;-8.09,1.27,;-7.18,2.52,;-5.65,2.36,;-4.56,3.45,;-5.03,-1.54,;-5.03,-3.08,;-3.56,-3.56,;-2.66,-2.31,;-3.56,-1.06,)|
Structure:
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