Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM160930
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
12.9±n/a nM
Citation
 Brodney, MA; Davoren, JE; Dounay, AB; Efremov, IV; Gray, DL; Green, ME; Henderson, JL; Lee, C; Mente, SR; O''Neil, SV; Rogers, BN; Zhang, L Heteroaromatic compounds and their use as dopamine D1 ligands US Patent  US11014909 Publication Date 5/25/2021 
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:
BDBM160930
Synonyms:
US11014909, Example 19 | US9107923, 19
Type:
Small organic molecule
Emp. Form.:
C20H15F3N4O3
Mol. Mass.:
416.3533
SMILES:
Cc1c(-c2ccc(Oc3ncccc3C(F)(F)F)c3[nH]ccc23)n(C)c(=O)[nH]c1=O |(2.26,1.78,;3.59,2.55,;4.92,1.78,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;3.59,-5.15,;2.26,-4.38,;.92,-5.15,;.92,-6.69,;2.26,-7.46,;3.59,-6.69,;4.92,-7.46,;6.26,-8.23,;4.15,-8.8,;5.69,-6.13,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;6.26,2.55,;7.59,1.78,;6.26,4.09,;7.59,4.86,;4.92,4.86,;3.59,4.09,;2.26,4.86,)|
Structure:
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