Reaction Details  Report a problem with these data
Target
D(2) dopamine receptor
Ligand
BDBM50094275
Substrate
n/a
Meas. Tech.
ChEMBL_1503759 (CHEMBL3592539)
Ki
79±n/a nM
Citation
 Czopek, A; Kolaczkowski, M; Bucki, A; Byrtus, H; Pawlowski, M; Kazek, G; Bojarski, AJ; Piaskowska, A; Kalinowska-Tluscik, J; Partyka, A; Wesolowska, A Novel spirohydantoin derivative as a potent multireceptor-active antipsychotic and antidepressant agent. Bioorg Med Chem 23:3436-47 (2015) [PubMed]  Article
Target
Name:
D(2) dopamine receptor
Synonyms:
DOPAMINE D2 | DOPAMINE D2 Long | DOPAMINE D2 Short | DRD2_RAT | Dopamine D2 receptor | Dopamine2-like | Drd2
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
50931.60
Organism:
Rattus norvegicus (rat)
Description:
P61169
Residue:
444
Sequence:
MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
  
Inhibitor
Name:
BDBM50094275
Synonyms:
CHEMBL3590093
Type:
Small organic molecule
Emp. Form.:
C29H38N4O3
Mol. Mass.:
490.637
SMILES:
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(7.06,-13.02,;7.17,-11.79,;8.57,-11.14,;9.83,-12.03,;11.23,-11.39,;11.37,-9.85,;10.11,-8.96,;8.71,-9.61,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
Structure:
Search PDB for entries with ligand similarity: