Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAlpha-1A adrenergic receptor
LigandBDBM50400888
Substrate/Competitorn/a
Meas. Tech.ChEMBL_880218 (CHEMBL2215347)
Ki<100±n/a nM
Citation Bang-Andersen, BRuhland, TJørgensen, MSmith, GFrederiksen, KJensen, KGZhong, HNielsen, SMHogg, SMørk, AStensbøl, TB Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem54:3206-21 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Alpha-1A adrenergic receptor
Name:Alpha-1A adrenergic receptor
Synonyms:ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A
Type:Protein
Mol. Mass.:51620.15
Organism:Rattus norvegicus (Rat)
Description:P43140
Residue:466
Sequence:
MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
VPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTL
HPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACT
TARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50400888
n/a
NameBDBM50400888
Synonyms:CHEMBL2205037
TypeSmall organic molecule
Emp. Form.C18H22N2OS
Mol. Mass.314.445
SMILESCOc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: