Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM24829
Substrate
BDBM21974
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
Ki
28380±n/a nM
Citation
 Gaspari, P; Banerjee, T; Malachowski, WP; Muller, AJ; Prendergast, GC; DuHadaway, J; Bennett, S; Donovan, AM Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. J Med Chem 49:684-92 (2006) [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:
BDBM24829
Synonyms:
Brassinin derivative, 17 | N-[2-(1H-indol-3-yl)ethyl][(pyridin-3-ylmethyl)sulfanyl]carbothioamide
Type:
Small organic molecule
Emp. Form.:
C17H17N3S2
Mol. Mass.:
327.467
SMILES:
S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1
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: