Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM506704
Substrate
n/a
Meas. Tech.
IDO1 Cell-Based Assay
IC50
8639±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:
BDBM506704
Synonyms:
2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imidazol-1-yl)bicyclo- [3.1.0]hexan-6-yl)-N-(3- (hydroxymethyl)bicyclo- [1.1.1]pentan-1-yl)- propanamide | US11046649, Ex. 82
Type:
Small organic molecule
Emp. Form.:
C22H25F2N3O2
Mol. Mass.:
401.4496
SMILES:
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(CO)(C1)C2 |r|
Structure:
Search PDB for entries with ligand similarity: