Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM370564
Substrate
n/a
Meas. Tech.
Enzymatic IDO Assay
IC50
<1000±n/a nM
Citation
 Mautino, M; Kumar, S; Waldo, J; Jaipuri, F; Kesharwani, T; Zhang, X IDO inhibitors US Patent  US10233190 Publication Date 3/19/2019 
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:
BDBM370564
Synonyms:
4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol-5-yl)ethyl)-N-((1r,4S)-4- hydroxycyclohexyl)piperidine-1-carboxamide | US10233190, Example 1497
Type:
Small organic molecule
Emp. Form.:
C24H32N4O3
Mol. Mass.:
424.5359
SMILES:
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,24.27,wD:3.2,27.31,(-3.7,-2.01,;-3.3,-.52,;-4.39,.57,;-5.88,.17,;-7.02,1.2,;-7.02,2.74,;-8.36,3.51,;-9.69,2.74,;-9.69,1.2,;-8.36,.43,;-8.03,-1.07,;-8.66,-2.48,;-7.52,-3.51,;-6.18,-2.74,;-6.5,-1.24,;-1.81,-.12,;-.72,-1.21,;.76,-.81,;1.16,.68,;.07,1.77,;-1.41,1.37,;2.65,1.08,;3.05,2.56,;3.74,-.01,;5.23,.38,;5.62,1.87,;7.11,2.27,;8.2,1.18,;9.69,1.58,;7.8,-.31,;6.32,-.7,)|
Structure:
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