Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM24784
Substrate
BDBM21974
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
880±n/a nM
Citation
 Kumar, S; Malachowski, WP; DuHadaway, JB; LaLonde, JM; Carroll, PJ; Jaller, D; Metz, R; Prendergast, GC; Muller, AJ Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors. J Med Chem 51:1706-18 (2008) [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:
BDBM24784
Synonyms:
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]ethyl]carbamoyl}butanoic acid | Quinone derivative, 13
Type:
Small organic molecule
Emp. Form.:
C21H23N3O8S
Mol. Mass.:
477.488
SMILES:
CC1=C(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2ccccc2C1=O |r,c:1|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21974
Synonyms:
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHEMBL54976 | L-tryptophan | US11021454, Compound L-trp | US9138393, L-Tryptophan | US9144538, L-Tryptophan
Type:
Amino Acid
Emp. Form.:
C11H12N2O2
Mol. Mass.:
204.2252
SMILES:
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: