Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistamine H1 receptor
LigandBDBM21398
Substrate/Competitorn/a
Meas. Tech.ChEMBL_84715 (CHEMBL881666)
Ki 384±n/a nM
Citation Campiani, GButini, SGemma, SNacci, VFattorusso, CCatalanotti, BGiorgi, GCagnotto, AGoegan, MMennini, TMinetti, PDi Cesare, MAMastroianni, DScafetta, NGalletti, BStasi, MACastorina, MPacifici, LGhirardi, OTinti, OCarminati, P Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. J Med Chem45:344-59 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Histamine H1 receptor
Name:Histamine H1 receptor
Synonyms:HISTAMINE H1 | HRH1_RAT | Hrh1
Type:Enzyme Catalytic Domain
Mol. Mass.:55716.35
Organism:RAT
Description:HISTAMINE H1 HRH1 RAT::P31390
Residue:486
Sequence:
MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHT
VGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFI
LCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKC
ETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLR
SDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCF
RLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTT
DSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIM
AAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKK
ILHIRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21398
n/a
NameBDBM21398
Synonyms:4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl) | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one | CHEMBL54 | CHEMBL545608 | Haloperidol | Haloperidol, 1
TypeSmall organic molecule
Emp. Form.C21H23ClFNO2
Mol. Mass.375.864
SMILESOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: