Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50253395
Substrate
n/a
Meas. Tech.
ChEMBL_539668 (CHEMBL1028976)
Ki
2.2±n/a nM
Citation
 Chen, J; Collins, GT; Zhang, J; Yang, CY; Levant, B; Woods, J; Wang, S Design, synthesis, and evaluation of potent and selective ligands for the dopamine 3 (D3) receptor with a novel in vivo behavioral profile. J Med Chem 51:5905-8 (2008) [PubMed]  Article 
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3_RAT | Dopamine D3 receptor | Drd3
Type:
Protein
Mol. Mass.:
49540.58
Organism:
Rattus norvegicus (Rat)
Description:
P19020
Residue:
446
Sequence:
MAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC
  
Inhibitor
Name:
BDBM50253395
Synonyms:
CHEMBL494309 | Naphthalene-2-carboxylic acid (4-{2-[((S)-2-amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-(3-methyl-butyl)-amino]-ethyl}-cyclohexyl)-amide
Type:
Small organic molecule
Emp. Form.:
C31H42N4OS
Mol. Mass.:
518.756
SMILES:
CC(C)CCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.7,wD:27.29,11.14,(-.06,-42.89,;-1.4,-42.12,;-2.73,-42.89,;-1.39,-40.58,;-2.73,-39.81,;-2.72,-38.27,;-1.39,-37.5,;-.06,-38.27,;1.28,-37.51,;1.27,-35.97,;2.61,-35.2,;3.94,-35.98,;3.93,-37.52,;2.6,-38.28,;5.28,-35.21,;6.61,-35.98,;6.61,-37.52,;7.94,-35.21,;9.27,-35.99,;10.61,-35.22,;10.6,-33.68,;11.93,-32.91,;11.94,-31.37,;10.59,-30.6,;9.27,-31.37,;9.27,-32.91,;7.94,-33.68,;-4.06,-37.5,;-4.06,-35.95,;-5.4,-35.17,;-6.73,-35.94,;-8.21,-35.46,;-9.13,-36.72,;-10.67,-36.72,;-8.21,-37.98,;-6.73,-37.5,;-5.4,-38.27,)|
Structure:
Search PDB for entries with ligand similarity: