Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM160894
Substrate
n/a
Meas. Tech.
Human D1 Receptor Binding Assay
pH
7.4±n/a
Ki
4.17±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:
BDBM160894
Synonyms:
US10093655, Example 64 | US11014909, Example 64 | US9107923, 64
Type:
Small organic molecule
Emp. Form.:
C20H18F3N3O3
Mol. Mass.:
405.3704
SMILES:
COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)(F)F |(-5.33,-6.54,;-5.33,-5,;-4,-4.24,;-2.67,-5.01,;-1.33,-4.24,;-1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;,-.39,;1.33,.38,;1.33,1.92,;,2.69,;,4.23,;-1.33,1.92,;2.67,2.69,;4,1.92,;4,.38,;5.33,2.69,;5.33,4.23,;4,5,;4,6.54,;2.67,4.23,;1.33,5,;-4,-2.7,;-5.33,-1.93,;-6.67,-1.16,;-5.33,-.39,;-6.67,-2.7,)|
Structure:
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