Reaction Details Report a problem with these data
Target
D(2) dopamine receptor
Ligand
BDBM50026747
Substrate
n/a
Meas. Tech.
ChEMBL_1437448 (CHEMBL3387258)
Ki
37±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(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:
BDBM50026747
Synonyms:
CHEMBL3335472
Type:
Small organic molecule
Emp. Form.:
C20H28F3N5O2S
Mol. Mass.:
459.529
SMILES:
NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(31.51,-21.3,;30.02,-21.7,;30.02,-23.24,;28.69,-22.47,;29.25,-20.36,;27.71,-20.36,;26.94,-21.7,;25.4,-21.7,;24.63,-20.36,;23.09,-20.36,;22.32,-19.03,;20.78,-19.03,;20.01,-20.36,;18.47,-20.36,;17.7,-19.03,;18.47,-17.7,;20.01,-17.7,;16.16,-19.03,;15.39,-20.36,;13.85,-20.36,;13.08,-19.03,;13.85,-17.7,;15.39,-17.7,;13.08,-16.36,;12.31,-15.02,;13.85,-15.02,;11.54,-16.36,;13.08,-21.7,;12.31,-23.03,;25.4,-19.03,;26.94,-19.03,)|
Structure:
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