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Target
D(3) dopamine receptor
Ligand
BDBM50474401
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:
BDBM50474401
Synonyms:
CHEMBL2368618
Type:
Small organic molecule
Emp. Form.:
C29H39ClN2O5S
Mol. Mass.:
563.148
SMILES:
Cl.COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1 |r,wU:16.15,wD:13.11,(16.93,,;11.98,5.19,;12.75,3.85,;11.98,2.52,;12.75,1.19,;11.98,-.15,;10.44,-.15,;9.67,1.19,;8.13,1.19,;7.36,-.15,;5.82,-.15,;5.05,1.19,;5.05,-1.48,;3.51,-1.48,;2.74,-.15,;1.2,-.15,;.43,-1.48,;-1.11,-1.48,;-1.88,-.15,;-3.42,-.15,;-4.09,1.24,;-5.59,1.58,;-6.79,.62,;-8.13,1.39,;-9.46,.62,;-9.46,-.92,;-10.8,-1.69,;-12.13,-.92,;-11.36,.42,;-13.46,-.15,;-12.9,-2.25,;-8.13,-1.69,;-6.79,-.92,;-5.59,-1.88,;-4.09,-1.54,;1.2,-2.82,;2.74,-2.82,;10.44,2.52,)|
Structure:
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