Reaction Details  Report a problem with these data
Target
Vesicular acetylcholine transporter
Ligand
BDBM50378723
Substrate
n/a
Meas. Tech.
ChEMBL_627490 (CHEMBL1111776)
Ki
0.54±n/a nM
Citation
 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z Synthesis and in vitro biological evaluation of carbonyl group-containing inhibitors of vesicular acetylcholine transporter. J Med Chem 53:2825-35 (2010) [PubMed]  Article
Target
Name:
Vesicular acetylcholine transporter
Synonyms:
TorVAChT | VACHT_TETCF | VAChT
Type:
PROTEIN
Mol. Mass.:
56111.93
Organism:
Torpedo californica
Description:
ChEMBL_1503355
Residue:
515
Sequence:
MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE
  
Inhibitor
Name:
BDBM50378723
Synonyms:
CHEMBL1204037
Type:
Small organic molecule
Emp. Form.:
C20H22BrNO2S
Mol. Mass.:
420.363
SMILES:
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 |r|
Structure:
Search PDB for entries with ligand similarity: