Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM506752
Substrate
n/a
Meas. Tech.
IDO1 Cell-Based Assay
IC50
636±n/a nM
Citation
 Lewis, RT; Hamilton, M; Jones, P; Petrocchi, A; Reyna, N; McAfoos, T; Cross, JB; Soth, MJ Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase US Patent  US11046649 Publication Date 6/29/2021 
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:
BDBM506752
Synonyms:
N-(3-(2-cyanoacetamido)- bicyclo[1.1.1]pentan-1-yl)- 2-((1R-((1R,3s,5S,6r)-, 3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- bicyclo[3.1.0]hexan-6- yl)propanamide | US11046649, Ex. 130
Type:
Small organic molecule
Emp. Form.:
C26H27FN4O3
Mol. Mass.:
462.516
SMILES:
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CC#N |r|
Structure:
Search PDB for entries with ligand similarity: