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Target
D(1A) dopamine receptor
Ligand
BDBM160872
Substrate
n/a
Meas. Tech.
Human D1 Receptor Binding Assay
pH
7.4±n/a
Ki
187±n/a nM
Comments
extracted
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  US10093655 Publication Date 10/9/2018 
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:
BDBM160872
Synonyms:
US10093655, Example 42 | US11014909, Example 42 | US9107923, 42
Type:
Small organic molecule
Emp. Form.:
C20H21N3O4
Mol. Mass.:
367.3984
SMILES:
COc1cc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)ncc1C |(-6,-6.54,;-6,-5,;-4.67,-4.24,;-4.67,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-.67,4.23,;-2,1.92,;2,2.69,;2,4.23,;.67,5,;3.33,5,;3.33,6.54,;4.67,4.23,;4.67,2.69,;6,1.92,;3.33,1.92,;3.33,.38,;-2,-2.7,;-2,-4.24,;-3.33,-5.01,;-3.33,-6.54,)|
Structure:
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