Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50326130
Substrate
n/a
Meas. Tech.
ChEMBL_657596 (CHEMBL1247197)
IC50
880±n/a nM
Citation
 John, SThangapandian, SSakkiah, SLee, KW Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies. Eur J Med Chem 45:4004-12 (2010) [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:
BDBM50326130
Synonyms:
2-amino-5-(1-(carboxymethylamino)-3-(8-hydroxy-3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid | CHEMBL1241911
Type:
Small organic molecule
Emp. Form.:
C21H23N3O9S
Mol. Mass.:
493.487
SMILES:
CC1=C(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2c(O)cccc2C1=O |c:1|
Structure:
Search PDB for entries with ligand similarity: