Reaction Details Report a problem with these data
Target
D(2) dopamine receptor
Ligand
BDBM263444
Substrate
n/a
Meas. Tech.
Receptor Binding Test
pH
7.5±n/a
Ki
3.64±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:
BDBM263444
Synonyms:
US9550741, IV-10
Type:
Small organic molecule
Emp. Form.:
C26H32N6O3S
Mol. Mass.:
508.636
SMILES:
[O-][N+](=O)c1cccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:12.11,wD:15.15,(-13,2.27,;-11.65,3.02,;-11.64,4.56,;-10.33,2.24,;-10.27,.62,;-8.93,-.15,;-7.6,.62,;-7.6,2.16,;-6.26,2.93,;-4.93,2.16,;-4.93,.62,;-3.6,2.93,;-2.26,2.16,;-.93,2.93,;.4,2.16,;.4,.62,;1.74,-.15,;3.07,.62,;4.4,-.15,;4.4,-1.69,;5.74,-2.46,;7.07,-1.69,;7.07,-.15,;5.74,.62,;8.41,-2.46,;8.41,-4,;9.87,-4.47,;10.78,-3.23,;12.31,-3.07,;12.93,-1.66,;12.03,-.41,;10.5,-.57,;9.87,-1.98,;-.93,-.15,;-2.26,.62,;-8.93,2.93,)|
Structure:
Search PDB for entries with ligand similarity: