Reaction Details Report a problem with these data
Target
D(1B) dopamine receptor
Ligand
BDBM50344630
Substrate
n/a
Meas. Tech.
ChEMBL_748965 (CHEMBL1781413)
Ki
>10000±n/a nM
Citation
 Banister, SD; Moussa, IA; Jorgensen, WT; Chua, SW; Kassiou, M Molecular hybridization of 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecane-3-ol with sigma (s) receptor ligands modulates off-target activity and subtype selectivity. Bioorg Med Chem Lett 21:3622-6 (2011) [PubMed]  Article 
Target
Name:
D(1B) dopamine receptor
Synonyms:
D(5) dopamine receptor | D1beta dopamine receptor | DOPAMINE D5 | DRD1B | DRD1L2 | DRD5 | DRD5_HUMAN | dopamine receptor D5
Type:
Protein
Mol. Mass.:
52943.41
Organism:
Homo sapiens (Human)
Description:
P21918
Residue:
477
Sequence:
MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
  
Inhibitor
Name:
BDBM50344630
Synonyms:
CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ol
Type:
Small organic molecule
Emp. Form.:
C21H22FNO2
Mol. Mass.:
339.4033
SMILES:
OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
Structure:
Search PDB for entries with ligand similarity: