Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50474388
Substrate
n/a
Meas. Tech.
ChEMBL_62595 (CHEMBL674272)
Ki
2.0±n/a nM
Citation
 Macdonald, GJ; Branch, CL; Hadley, MS; Johnson, CN; Nash, DJ; Smith, AB; Stemp, G; Thewlis, KM; Vong, AK; Austin, NE; Jeffrey, P; Winborn, KY; Boyfield, I; Hagan, JJ; Middlemiss, DN; Reavill, C; Riley, GJ; Watson, JM; Wood, M; Parker, SG; Ashby, CR Design and synthesis of trans-3-(2-(4-((3-(3-(5-methyl-1,2,4-oxadiazolyl))- phenyl)carboxamido)cyclohexyl)ethyl)-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (SB-414796): a potent and selective dopamine D3 receptor antagonist. J Med Chem 46:4952-64 (2003) [PubMed]  Article 
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3 | DRD3_HUMAN | Dopamine D3 receptor | Dopamine D3 receptor (D3) | Dopamine D3 receptor (D3R) | Dopamine receptor | Dopamine receptor (D3) | Dopamine receptor D3
Type:
n/a
Mol. Mass.:
44243.43
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
400
Sequence:
MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
  
Inhibitor
Name:
BDBM50474388
Synonyms:
CHEMBL3084625
Type:
Small organic molecule
Emp. Form.:
C29H36ClN3O4S
Mol. Mass.:
558.132
SMILES:
Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ncccc34)CCc2c1 |r,wU:15.13,wD:18.20,(9.19,,;-2.22,-10.86,;-.88,-11.63,;-1.65,-12.96,;.45,-12.4,;-.11,-10.3,;-.88,-8.96,;-2.42,-8.96,;-3.19,-7.63,;-2.42,-6.3,;-3.38,-5.09,;-3.04,-3.59,;-1.65,-2.92,;-1.65,-1.38,;-.32,-.61,;-.32,.93,;-1.65,1.7,;-1.65,3.24,;-.32,4.01,;1.01,3.24,;1.01,1.7,;-.32,5.55,;1.01,6.32,;2.35,5.55,;1.01,7.86,;-.32,8.63,;-.32,10.17,;1.01,10.94,;2.35,10.17,;3.68,10.94,;5.01,10.17,;5.01,8.63,;3.68,7.86,;2.35,8.63,;-.27,-3.59,;.08,-5.09,;-.88,-6.3,;-.11,-7.63,)|
Structure:
Search PDB for entries with ligand similarity: