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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50549535
Substrate
n/a
Meas. Tech.
ChEMBL_2025270 (CHEMBL4679083)
IC50
7.8±n/a nM
Citation
 Kinzel, O; Steeneck, C; Anderhub, S; Hornberger, M; Pinto, S; Morschhaeuser, B; Albers, M; Sonnek, C; Wang, Y; Mallinger, A; Czeka?ska, M; Hoffmann, T Discovery of highly potent heme-displacing IDO1 inhibitors based on a spirofused bicyclic scaffold. Bioorg Med Chem Lett 33:0 (2021) [PubMed]  Article 
Target
Name:
Indoleamine 2,3-dioxygenase 1
Synonyms:
I23O1_MOUSE | IDO-1 | Ido | Ido1 | Indo | Indoleamine-pyrrole 2,3-dioxygenase
Type:
PROTEIN
Mol. Mass.:
45639.39
Organism:
Mus musculus
Description:
ChEMBL_1452149
Residue:
407
Sequence:
MALSKISPTEGSRRILEDHHIDEDVGFALPHPLVELPDAYSPWVLVARNLPVLIENGQLREEVEKLPTLSTDGLRGHRLQRLAHLALGYITMAYVWNRGDDDVRKVLPRNIAVPYCELSEKLGLPPILSYADCVLANWKKKDPNGPMTYENMDILFSFPGGDCDKGFFLVSLLVEIAASPAIKAIPTVSSAVERQDLKALEKALHDIATSLEKAKEIFKRMRDFVDPDTFFHVLRIYLSGWKCSSKLPEGLLYEGVWDTPKMFSGGSAGQSSIFQSLDVLLGIKHEAGKESPAEFLQEMREYMPPAHRNFLFFLESAPPVREFVISRHNEDLTKAYNECVNGLVSVRKFHLAIVDTYIMKPSKKKPTDGDKSEEPSNVESRGTGGTNPMTFLRSVKDTTEKALLSWP
  
Inhibitor
Name:
BDBM50549535
Synonyms:
CHEMBL4763375
Type:
Small organic molecule
Emp. Form.:
C23H23ClF3NO2
Mol. Mass.:
437.882
SMILES:
[H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)|
Structure:
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