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Target
D(3) dopamine receptor
Ligand
BDBM50474411
Substrate
n/a
Meas. Tech.
ChEMBL_62595 (CHEMBL674272)
Ki
6.3±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:
BDBM50474411
Synonyms:
CHEMBL3084602
Type:
Small organic molecule
Emp. Form.:
C30H38ClN3O4S
Mol. Mass.:
572.158
SMILES:
Cl.Cc1ncc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1 |r,wU:16.16,wD:19.20,(17.06,,;12.88,-5.52,;11.47,-4.89,;10.14,-5.66,;8.99,-4.63,;9.62,-3.22,;11.15,-3.38,;8.85,-1.89,;9.62,-.56,;8.85,.78,;7.31,.78,;6.54,-.56,;7.31,-1.89,;5,-.56,;4.23,-1.89,;4.23,.78,;2.69,.78,;1.92,-.56,;.38,-.56,;-.39,.78,;-1.93,.78,;-2.7,2.11,;-4.24,2.11,;-4.91,3.5,;-6.41,3.84,;-7.62,2.88,;-8.95,3.65,;-10.28,2.88,;-10.28,1.34,;-8.95,.57,;-7.62,1.34,;-6.41,.38,;-4.91,.72,;-11.62,.57,;-12.39,1.91,;-12.95,-.2,;-10.85,-.76,;.38,2.11,;1.92,2.11,)|
Structure:
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