Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM130467
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
93.1±n/a nM
Citation
 Davoren, JE; Dounay, AB; Efremov, IV; Gray, DL; Mente, SR; O'Neil, SV; Rogers, BN; Subramanyam, C; Zhang, L Heteroaromatic compounds and their use as dopamine D1 ligands US Patent  US8822494 Publication Date 9/2/2014 
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:
BDBM130467
Synonyms:
US8822494, 13
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2
Mol. Mass.:
347.3706
SMILES:
Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)nc[n+]([O-])c1C |(2.28,8.53,;2.28,6.99,;.95,6.22,;.95,4.68,;-.38,3.91,;-.38,2.37,;.95,1.6,;.95,.06,;-.38,-.72,;-1.72,.06,;-3.29,-.34,;-4.13,.95,;-3.16,2.15,;-1.72,1.6,;2.28,3.91,;3.62,4.68,;3.62,6.22,;4.95,6.99,;6.28,6.22,;6.28,4.68,;7.62,6.99,;7.62,8.53,;6.28,9.3,;6.28,10.84,;4.95,8.53,;3.62,9.3,)|
Structure:
Search PDB for entries with ligand similarity: