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Target
D(2) dopamine receptor
Ligand
BDBM50474393
Substrate
n/a
Meas. Tech.
ChEMBL_60540 (CHEMBL674348)
Ki
126±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(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:
BDBM50474393
Synonyms:
CHEMBL2368623
Type:
Small organic molecule
Emp. Form.:
C28H36ClFN2O3S
Mol. Mass.:
535.113
SMILES:
Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1 |r,wU:17.19,wD:14.12,(16.81,,;-11.68,-.12,;-10.91,-1.46,;-12.25,-2.23,;-10.14,-2.79,;-9.58,-.69,;-9.58,.85,;-8.25,1.62,;-6.91,.85,;-5.71,1.81,;-4.21,1.47,;-3.54,.08,;-2,.08,;-1.23,-1.25,;.31,-1.25,;1.08,-2.58,;2.62,-2.58,;3.39,-1.25,;2.62,.08,;1.08,.08,;4.93,-1.25,;5.7,.08,;4.93,1.42,;7.24,.08,;8.01,1.42,;9.55,1.42,;10.32,.08,;11.86,.08,;12.63,1.42,;11.86,2.75,;12.63,4.08,;10.32,2.75,;-4.21,-1.3,;-5.71,-1.65,;-6.91,-.69,;-8.25,-1.46,)|
Structure:
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