Reaction Details  Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50520447
Substrate
n/a
Meas. Tech.
ChEMBL_1880241 (CHEMBL4381635)
IC50
74±n/a nM
Citation
 Peng, YH; Liao, FY; Tseng, CT; Kuppusamy, R; Li, AS; Chen, CH; Fan, YS; Wang, SY; Wu, MH; Hsueh, CC; Chang, JY; Lee, LC; Shih, C; Shia, KS; Yeh, TK; Hung, MS; Kuo, CC; Song, JS; Wu, SY; Ueng, SH Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J Med Chem 63:1642-1659 (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:
BDBM50520447
Synonyms:
CHEMBL4459313
Type:
Small organic molecule
Emp. Form.:
C20H13N5OS2
Mol. Mass.:
403.48
SMILES:
O=C(NCc1cnc2scc(C#Cc3ccsc3)n12)Nc1ccc(cc1)C#N
Structure:
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