Reaction Details Report a problem with these data
Target
Adenosine transporter 1
Ligand
BDBM50105127
Substrate
n/a
Meas. Tech.
ChEMBL_149711 (CHEMBL755808)
Ki
125000±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:
BDBM50105127
Synonyms:
CHEMBL538771 | N2-(3-[4-(3-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]propylamino)cyclohexyl]aminopropyl)-1,3,5-triazine-2,4,6-triamine Tetrahydrochloride
Type:
Small organic molecule
Emp. Form.:
C18H34N14
Mol. Mass.:
446.5564
SMILES:
Nc1nc(N)nc(NCCCNC2CCC(CC2)NCCCNc2nc(N)nc(N)n2)n1 |(20.82,-6.5,;20.82,-4.97,;22.14,-4.21,;22.14,-2.68,;23.49,-1.89,;20.82,-1.91,;19.5,-2.68,;18.18,-1.91,;16.83,-2.68,;15.53,-1.89,;14.18,-2.65,;12.86,-1.86,;11.54,-2.63,;10.45,-3.72,;8.99,-2.68,;7.73,-2.77,;8.83,-1.68,;10.22,-2.7,;6.41,-2,;5.09,-2.79,;3.74,-2.03,;2.42,-2.79,;1.1,-2.05,;-.22,-2.82,;-.22,-4.37,;-1.57,-5.14,;-1.57,-6.67,;-2.89,-4.37,;-2.89,-2.84,;-4.22,-2.03,;-1.57,-2.05,;19.5,-4.21,)|
Structure:
Search PDB for entries with ligand similarity: