Reaction Details Report a problem with these data
Target
Vesicular acetylcholine transporter
Ligand
BDBM50046952
Substrate
n/a
Meas. Tech.
ChEMBL_828208 (CHEMBL2050140)
Ki
0.22±n/a nM
Citation
 Tu, Z; Wang, W; Cui, J; Zhang, X; Lu, X; Xu, J; Parsons, SM Synthesis and evaluation of in vitro bioactivity for vesicular acetylcholine transporter inhibitors containing two carbonyl groups. Bioorg Med Chem 20:4422-9 (2012) [PubMed]  Article 
Target
Name:
Vesicular acetylcholine transporter
Synonyms:
SLC18A3 | Solute carrier family 18 member 3 | VACHT | VACHT_HUMAN
Type:
PROTEIN
Mol. Mass.:
56900.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1507628
Residue:
532
Sequence:
MESAEPAGQARAAATKLSEAVGAALQEPRRQRRLVLVIVCVALLLDNMLYMVIVPIVPDYIAHMRGGGEGPTRTPEVWEPTLPLPTPANASAYTANTSASPTAAWPAGSALRPRYPTESEDVKIGVLFASKAILQLLVNPLSGPFIDRMSYDVPLLIGLGVMFASTVLFAFAEDYATLFAARSLQGLGSAFADTSGIAMIADKYPEEPERSRALGVALAFISFGSLVAPPFGGILYEFAGKRVPFLVLAAVSLFDALLLLAVAKPFSAAARARANLPVGTPIHRLMLDPYIAVVAGALTTCNIPLAFLEPTIATWMKHTMAASEWEMGMAWLPAFVPHVLGVYLTVRLAARYPHLQWLYGALGLAVIGASSCIVPACRSFAPLVVSLCGLCFGIALVDTALLPTLAFLVDVRHVSVYGSVYAIADISYSVAYALGPIVAGHIVHSLGFEQLSLGMGLANLLYAPVLLLLRNVGLLTRSRSERDVLLDEPPQGLYDAVRLRERPVSGQDGEPRSPPGPFDACEDDYNYYYTRS
  
Inhibitor
Name:
BDBM50046952
Synonyms:
(3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol | CHEMBL129530 | CHEMBL1956464 | p-fluorobenzyltrozamicol | trans-1-(4-fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
Type:
Small organic molecule
Emp. Form.:
C23H29FN2O
Mol. Mass.:
368.4876
SMILES:
O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: