Reaction Details Report a problem with these data
Target
D(1A) dopamine receptor
Ligand
BDBM160914
Substrate
n/a
Meas. Tech.
Human D1 Receptor Binding Assay
pH
7.4±n/a
Ki
118±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:
BDBM160914
Synonyms:
US10093655, Example 4 | US11014909, Example 4 | US9107923, 3 | US9107923, 4
Type:
Small organic molecule
Emp. Form.:
C18H15ClFN3O3
Mol. Mass.:
375.781
SMILES:
Cc1cc(Oc2ncc(F)cc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;-6.67,-.77,;-8,,;-8,1.54,;-9.34,-.77,;-9.34,-2.31,;-10.67,-3.08,;-5.33,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-7.7,;1.33,-6.93,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-4,-10.01,)|
Structure:
Search PDB for entries with ligand similarity: