Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM130479
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
5.09±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:
BDBM130479
Synonyms:
US8822494, 25
Type:
Small organic molecule
Emp. Form.:
C21H17F2N5O
Mol. Mass.:
393.3894
SMILES:
Cc1ncnc(N2CC(F)C2)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F |(-1.47,-5.63,;-2.8,-4.86,;-4.14,-5.63,;-5.47,-4.86,;-5.47,-3.32,;-4.14,-2.55,;-4.14,-1.01,;-3.05,.08,;-4.14,1.17,;-4.14,2.71,;-5.23,.08,;-2.8,-3.32,;-1.47,-2.55,;-1.47,-1.01,;-.14,-.24,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;1.2,-2.55,;-.14,-3.32,;-.14,-4.86,)|
Structure:
Search PDB for entries with ligand similarity: