Reaction Details Report a problem with these data
Target
Vesicular acetylcholine transporter
Ligand
BDBM50387395
Substrate
n/a
Meas. Tech.
ChEMBL_828202 (CHEMBL2050134)
Ki
2020±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:
BDBM50387395
Synonyms:
CHEMBL2047238
Type:
Small organic molecule
Emp. Form.:
C23H27FN2O3S
Mol. Mass.:
430.535
SMILES:
Cc1ccsc1C(=O)N1CC[C@H]([C@H](O)C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: