Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIndoleamine 2,3-dioxygenase 1
LigandBDBM24818
Substrate/CompetitorBDBM21974
Meas. Tech.Enzyme Inhibition Assay
pH6.5±n/a
Temperature310.15±n/a K
Ki 179600±n/a nM
Citation Gaspari PBanerjee TMalachowski WPMuller AJPrendergast GCDuHadaway JBennett SDonovan AM Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. J Med Chem 49:684-92 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Indoleamine 2,3-dioxygenase 1
Name:Indoleamine 2,3-dioxygenase
Synonyms:IDO | IDO-1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine-pyrrole 2,3-dioxygenase
Type:Enzyme
Mol. Mass.:45330.80
Organism:Homo sapiens (Human)
Description:n/a
Residue:403
Sequence:
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVE
KLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLEL
PPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKV
IPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGN
PQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMP
PAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQ
QPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM24818
BDBM21974
NameBDBM24818
Synonyms:Brassinin derivative, 6 | N-(adamantan-2-yl)(methylsulfanyl)carbothioamide
TypeSmall organic molecule
Emp. Form.C12H19NS2
Mol. Mass.241.416
SMILESCSC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8.7.14:10.11.12,14:13:9.8.7:11,THB:4:5:9.8.7:11,9:8:5:10.11.12,9:10:5:8.7.14,14:8:11:5.13.12,(2.8,2.34,;1.58,1.4,;.16,1.97,;-.06,3.5,;-1.06,1.02,;-2.48,1.6,;-2.8,.35,;-4.35,.27,;-6.36,1.56,;-7.42,.47,;-5.99,.53,;-3.89,-.74,;-5.45,2.65,;-4.01,3.05,;-6.03,2.85,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: