Reaction Details Report a problem with these data
Target
D(2) dopamine receptor
Ligand
BDBM50207161
Substrate
n/a
Meas. Tech.
Receptor Binding Test
pH
7.5±n/a
Ki
0.820±n/a nM
Comments
extracted
Citation
 Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent  US9550741 Publication Date 1/24/2017 
Target
Name:
D(2) dopamine receptor
Synonyms:
D(2) dopamine receptor | DOPAMINE D2 | DOPAMINE D2 Long | DOPAMINE D2 Short | DRD2 | DRD2_HUMAN | Dopamine D2 receptor | Dopamine D2 receptor (D2) | Dopamine D2 receptor (D2R) | Dopamine D2A | Dopamine2-like | d2
Type:
Cell-surface receptors
Mol. Mass.:
50647.10
Organism:
Homo sapiens (Human)
Description:
P14416
Residue:
443
Sequence:
MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
  
Inhibitor
Name:
BDBM50207161
Synonyms:
CHEMBL3950977 | US9550741, I-19
Type:
Small organic molecule
Emp. Form.:
C24H30N4O2S
Mol. Mass.:
438.586
SMILES:
O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)|
Structure:
Search PDB for entries with ligand similarity: