Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50026745
Substrate
n/a
Meas. Tech.
ChEMBL_1437449 (CHEMBL3387259)
Ki
0.750000±n/a nM
Citation
 Vass, M; Agai-Csongor, E; Horti, F; Keseru, GM Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors. ACS Med Chem Lett 5:1010-4 (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:
BDBM50026745
Synonyms:
CHEMBL3335470
Type:
Small organic molecule
Emp. Form.:
C21H28F3N5O
Mol. Mass.:
423.4751
SMILES:
NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:4.3,wD:7.7,(20.37,-9.78,;21.14,-8.45,;22.68,-8.45,;20.37,-7.12,;18.83,-7.12,;18.06,-8.45,;16.52,-8.45,;15.75,-7.12,;14.21,-7.12,;13.44,-5.78,;11.9,-5.78,;11.13,-7.12,;9.59,-7.12,;8.82,-5.78,;9.59,-4.45,;11.13,-4.45,;7.28,-5.78,;6.51,-7.12,;4.97,-7.12,;4.2,-5.78,;4.97,-4.45,;6.51,-4.45,;4.2,-3.12,;4.97,-1.78,;2.66,-3.12,;3.43,-1.78,;4.2,-8.45,;3.43,-9.78,;16.52,-5.78,;18.06,-5.78,)|
Structure:
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