Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM160905
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
87.0±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:
BDBM160905
Synonyms:
US10093655, Example 75 | US11014909, Example 75 | US9107923, 75
Type:
Small organic molecule
Emp. Form.:
C19H17F2N3O3
Mol. Mass.:
373.3534
SMILES:
Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C |(1.33,3.47,;1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;-1.33,-2.69,;,-3.47,;,-5,;-1.33,-5.78,;-2.67,-5,;-2.67,-3.47,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-6.67,-2.69,;1.33,-1.15,;2.67,-.38,;2.67,1.15,;4,1.93,;5.33,1.15,;5.33,-.38,;6.67,1.93,;6.67,3.47,;5.33,4.23,;5.33,5.78,;4,3.47,;2.67,4.23,)|
Structure:
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