Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM130451
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
4.6±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:
BDBM130451
Synonyms:
US8822494, 44
Type:
Small organic molecule
Emp. Form.:
C21H17N5O
Mol. Mass.:
355.3926
SMILES:
Cc1cc(Oc2nccc3[nH]cc([N+]#[C-])c23)ccc1-c1c(C)ncnc1C |(.84,4.24,;.84,2.7,;-.5,1.93,;-.5,.38,;-1.83,-.38,;-1.83,-1.93,;-.5,-2.69,;-.5,-4.23,;-1.83,-5,;-3.17,-4.23,;-4.63,-4.71,;-5.54,-3.47,;-4.63,-2.22,;-5.11,-.75,;-5.58,.71,;-3.17,-2.69,;.84,-.38,;2.17,.38,;2.17,1.93,;3.5,2.69,;4.84,1.93,;4.84,.38,;6.17,2.69,;6.17,4.23,;4.84,5,;3.5,4.23,;2.17,5,)|
Structure:
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