Reaction Details  Report a problem with these data
Target
D(2) dopamine receptor
Ligand
BDBM50474405
Substrate
n/a
Meas. Tech.
ChEMBL_60540 (CHEMBL674348)
Ki
631±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:
BDBM50474405
Synonyms:
CHEMBL2113358
Type:
Small organic molecule
Emp. Form.:
C30H38ClN3O4S
Mol. Mass.:
572.158
SMILES:
Cl.Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c2ccccc2n1 |r,wU:8.6,wD:11.10,(21.18,-11.97,;18.46,-8.9,;17.84,-9.97,;16.3,-9.96,;15.53,-11.31,;13.99,-11.31,;13.37,-12.38,;13.21,-9.98,;11.67,-9.98,;10.91,-11.31,;9.37,-11.32,;8.59,-9.98,;7.05,-9.99,;6.29,-11.33,;4.75,-11.34,;4.04,-9.9,;2.53,-9.6,;1.73,-10.55,;.2,-9.77,;-1.18,-10.55,;-1.18,-12.12,;-2.52,-12.89,;-3.85,-12.11,;-4.92,-11.5,;-4.92,-12.73,;-3.85,-10.88,;.2,-12.9,;1.73,-12.12,;2.49,-13.03,;4.02,-12.79,;9.36,-8.65,;10.9,-8.65,;16.29,-12.64,;15.52,-13.97,;16.28,-15.31,;17.82,-15.31,;18.59,-13.98,;17.83,-12.65,;18.6,-11.32,)|
Structure:
Search PDB for entries with ligand similarity: