Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50573261
Substrate
n/a
Meas. Tech.
ChEMBL_2119346 (CHEMBL4828412)
IC50
1.1±n/a nM
Citation
 Hopkins, B; Zhang, H; Bharathan, I; Li, D; Pu, Q; Zhou, H; Martinot, TA; Fradera, X; Lammens, A; Lesburg, CA; Cohen, RD; Ballard, J; Knemeyer, I; Otte, K; Vincent, S; Miller, JR; Solban, N; Cheng, M; Geda, P; Smotrov, N; Song, X; Bennett, DJ; Han, Y Utilization of Metabolite Identification and Structural Data to Guide Design of Low-Dose IDO1 Inhibitors. ACS Med Chem Lett 12:1435-1440 (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:
BDBM50573261
Synonyms:
CHEMBL4862297
Type:
Small organic molecule
Emp. Form.:
C24H24FN5O
Mol. Mass.:
417.4787
SMILES:
C[C@H]1C[C@@]1(NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r|
Structure:
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