Reaction Details  Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50578621
Substrate
n/a
Meas. Tech.
ChEMBL_2133626 (CHEMBL4843236)
IC50
24±n/a nM
Citation
 Hamilton, MM; Mseeh, F; McAfoos, TJ; Leonard, PG; Reyna, NJ; Harris, AL; Xu, A; Han, M; Soth, MJ; Czako, B; Theroff, JP; Mandal, PK; Burke, JP; Virgin-Downey, B; Petrocchi, A; Pfaffinger, D; Rogers, NE; Parker, CA; Yu, SS; Jiang, Y; Krapp, S; Lammens, A; Trevitt, G; Tremblay, MR; Mikule, K; Wilcoxen, K; Cross, JB; Jones, P; Marszalek, JR; Lewis, RT Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J Med Chem 64:11302-11329 (2021) [PubMed]  Article
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:
BDBM50578621
Synonyms:
CHEMBL4853212
Type:
Small organic molecule
Emp. Form.:
C17H18F3N5O2
Mol. Mass.:
381.3523
SMILES:
CC1(C)CN(CC[C@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: