Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM160893
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
13.4±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:
BDBM160893
Synonyms:
US10093655, Example 63 | US11014909, Example 63 | US9107923, 63
Type:
Small organic molecule
Emp. Form.:
C20H19F2N3O3
Mol. Mass.:
387.38
SMILES:
COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)F |(-6,-5,;-4.67,-5.77,;-3.33,-5,;-2,-5.78,;-.67,-5,;-.67,-3.47,;-2,-2.69,;-2,-1.15,;-.67,-.38,;.67,-1.15,;2,-.38,;2,1.15,;.67,1.93,;.67,3.47,;-.67,1.15,;3.33,1.93,;4.67,1.15,;4.67,-.38,;6,1.93,;6,3.47,;4.67,4.23,;4.67,5.78,;3.33,3.47,;2,4.23,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-4.67,-1.15,)|
Structure:
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