Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50057759
Substrate
n/a
Meas. Tech.
ChEMBL_1450571 (CHEMBL3372149)
IC50
19±n/a nM
Citation
 Ananthan, S; Saini, SK; Zhou, G; Hobrath, JV; Padmalayam, I; Zhai, L; Bostwick, JR; Antonio, T; Reith, ME; McDowell, S; Cho, E; McAleer, L; Taylor, M; Luedtke, RR Design, synthesis, and structure-activity relationship studies of a series of [4-(4-carboxamidobutyl)]-1-arylpiperazines: insights into structural features contributing to dopamine D3 versus D2 receptor subtype selectivity. J Med Chem 57:7042-60 (2014) [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:
BDBM50057759
Synonyms:
CHEMBL3323117
Type:
Small organic molecule
Emp. Form.:
C30H42F3N5O
Mol. Mass.:
545.6826
SMILES:
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)CC1 |r,wU:25.25,wD:28.32,(27.3,-46.4,;28.08,-45.07,;29.62,-45.07,;28.84,-46.39,;27.31,-43.73,;25.77,-43.72,;25.02,-42.38,;25.78,-41.06,;27.32,-41.06,;28.09,-42.4,;28.09,-39.73,;29.63,-39.73,;27.32,-38.39,;28.85,-38.38,;23.48,-42.38,;22.7,-43.71,;21.17,-43.7,;20.4,-42.37,;18.86,-42.37,;18.09,-41.04,;16.55,-41.04,;15.78,-39.71,;14.24,-39.71,;13.47,-38.37,;14.24,-37.04,;11.93,-38.37,;11.17,-39.71,;9.63,-39.71,;8.86,-38.37,;9.64,-37.04,;11.17,-37.04,;7.32,-38.37,;6.56,-37.03,;5.02,-37.02,;4.24,-38.35,;5.02,-39.69,;6.55,-39.69,;21.16,-41.03,;22.71,-41.04,)|
Structure:
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