Reaction Details Report a problem with these data
Target
D(4) dopamine receptor
Ligand
BDBM50167937
Substrate
n/a
Meas. Tech.
ChEMBL_304365 (CHEMBL829007)
EC50
7.6±n/a nM
Citation
 Schlotter, K; Boeckler, F; Hübner, H; Gmeiner, P Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles. J Med Chem 48:3696-9 (2005) [PubMed]  Article 
Target
Name:
D(4) dopamine receptor
Synonyms:
D(2C) dopamine receptor | DOPAMINE D4 | DOPAMINE D4.2 | DOPAMINE D4.4 | DRD4 | DRD4_HUMAN | Dopamine D4 receptor
Type:
Enzyme
Mol. Mass.:
48373.19
Organism:
Homo sapiens (Human)
Description:
P21917
Residue:
419
Sequence:
MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPSLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
  
Inhibitor
Name:
BDBM50167937
Synonyms:
CHEMBL194555 | N-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl}-1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene-6-carboxamide
Type:
Small organic molecule
Emp. Form.:
C25H21Cl2FeN3O
Mol. Mass.:
506.205
SMILES:
[Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Structure:
Search PDB for entries with ligand similarity: