Reaction Details  Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50511715
Substrate
n/a
Meas. Tech.
ChEMBL_1845471 (CHEMBL4345898)
EC50
2900±n/a nM
Citation
 Parr, BT; Pastor, R; Sellers, BD; Pei, Z; Jaipuri, FA; Castanedo, GM; Gazzard, L; Kumar, S; Li, X; Liu, W; Mendonca, R; Pavana, RK; Potturi, H; Shao, C; Velvadapu, V; Waldo, JP; Wu, G; Yuen, PW; Zhang, Z; Zhang, Y; Harris, SF; Oh, AJ; DiPasquale, A; Dement, K; La, H; Goon, L; Gustafson, A; VanderPorten, EC; Mautino, MR; Liu, Y Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. ACS Med Chem Lett 11:541-549 (2020) [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:
BDBM50511715
Synonyms:
CHEMBL4540245
Type:
Small organic molecule
Emp. Form.:
C15H16N2O2
Mol. Mass.:
256.2997
SMILES:
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: