Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM50465945
Substrate
n/a
Meas. Tech.
ChEMBL_1789226 (CHEMBL4260960)
Ki
6.8±n/a nM
Citation
 Davoren, JE; Nason, D; Coe, J; Dlugolenski, K; Helal, C; Harris, AR; LaChapelle, E; Liang, S; Liu, Y; O'Connor, R; Orozco, CC; Rai, BK; Salafia, M; Samas, B; Xu, W; Kozak, R; Gray, D Discovery and Lead Optimization of Atropisomer D1 Agonists with Reduced Desensitization. J Med Chem 61:11384-11397 (2018) [PubMed]  Article 
Target
Name:
D(1A) dopamine receptor
Synonyms:
DA D1 receptor | DOPAMINE D1 | DRD1 | DRD1_HUMAN | Dopamine D1 receptor | Dopamine D1 receptor (D1R) | Dopamine D1A
Type:
Enzyme
Mol. Mass.:
49303.43
Organism:
Homo sapiens (Human)
Description:
P21728
Residue:
446
Sequence:
MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
  
Inhibitor
Name:
BDBM50465945
Synonyms:
CHEMBL4279267
Type:
Small organic molecule
Emp. Form.:
C22H17N3O2
Mol. Mass.:
355.3893
SMILES:
Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C |(71.15,-35.83,;71.14,-34.29,;72.47,-33.52,;72.46,-31.97,;71.11,-31.22,;70.79,-29.72,;69.26,-29.56,;68.64,-30.97,;69.79,-31.99,;69.81,-33.53,;68.49,-34.3,;68.49,-35.85,;67.16,-36.62,;65.83,-35.85,;64.5,-36.63,;64.5,-38.17,;65.83,-38.93,;65.84,-40.47,;64.51,-41.24,;63.17,-40.47,;61.71,-40.95,;60.8,-39.72,;61.7,-38.47,;63.17,-38.94,;65.82,-34.31,;67.14,-33.54,;67.13,-32,)|
Structure:
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