Reaction Details Report a problem with these data
Target
Adenosine transporter 1
Ligand
BDBM50105141
Substrate
n/a
Meas. Tech.
ChEMBL_149711 (CHEMBL755808)
Ki
3200±n/a nM
Citation
 Klenke, B; Stewart, M; Barrett, MP; Brun, R; Gilbert, IH Synthesis and biological evaluation of s-triazine substituted polyamines as potential new anti-trypanosomal drugs. J Med Chem 44:3440-52 (2001) [PubMed]  Article 
Target
Name:
Adenosine transporter 1
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
51044.02
Organism:
Trypanosoma brucei
Description:
ChEMBL_31141
Residue:
463
Sequence:
MLGFDSANEFIVYVTFLFFGMSVVVVTNSIFSMPFFFIEYYKYAQGKPDAKPEDPKFWKHMFTYYSIAAFLVELVLASLMLTPIGRRISVTVRLGVGLVIPIVLVFSVMMVTIVTTTETGAKVTIMLIAIANGVAMTLCDAGNAALIAPFPTKFYSSVVWGIAVCGVVTSFFSIVIKASMGGGYHNMLIQSRIYFGLVMFMQVISCALLVLLRKNPYAQKYAAEFRYAARKGIDDKGADGDEGNGAAKGPADQDDDPHGGDDTDKGNVMTATVDPDTMKDMDQVENITTSQQMLMARVWNVFWRVWPMLFACFMVFFTTFLVYPAVYFAIKADTGDGWYLTIAAALFNLGDFLSRLCLQFKALHVSPRWVLIGTFARMLLIIPLVLCVRSIITGPWLPYILVHAWGFTYGYYGGISQIYAPRTGSLTTAGERSLAANWTIISLLGGIFVGAMFALAVNEGLPK
  
Inhibitor
Name:
BDBM50105141
Synonyms:
CHEMBL542698 | N2-(3-((12-((3-((4,6-Di(methylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)dodecyl)amino)-propyl)N4,N6-dimethyl-1,3,5-triazine-4,2,6-triamine pentaahydrochloride
Type:
Small organic molecule
Emp. Form.:
C28H56N14
Mol. Mass.:
588.838
SMILES:
CNc1nc(NC)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
Structure:
Search PDB for entries with ligand similarity: