Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerotonin 3a (5-HT3a)/3b (5-HT3b) receptor
LigandBDBM50000462
Substrate/Competitorn/a
Meas. Tech.ChEMBL_3411
Ki 0.63±n/a nM
Citation Clark RDMiller ABBerger JRepke DBWeinhardt KKKowalczyk BAEglen RMBonhaus DWLee CHMichel AD 2-(Quinuclidin-3-yl)pyrido[4,3-b]indol-1-ones and isoquinolin-1-ones. Potent conformationally restricted 5-HT3 receptor antagonists. J Med Chem 36:2645-57 (1993) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Name:Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Synonyms:Serotonin 3 (5-HT3) receptor
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 2974
Components:This complex has 2 components.
Component 1
Name:Serotonin (5-HT) receptor
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:50328.78
Organism:Rattus norvegicus
Description:EBI_11885
Residue:437
Sequence:
MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLC
VHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFV
DVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDID
LGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVV
SLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGV
FFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTE
SPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVL
GLYTVTLCSLWALWSRM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Serotonin (5-HT) receptor
Synonyms:5-HT3 | 5-hydroxytryptamine receptor 3A | Zacopride site-R
Type:Enzyme Catalytic Domain
Mol. Mass.:55428.70
Organism:RAT
Description:5-HT3 HTR3A RAT::P35563
Residue:483
Sequence:
MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDW
RKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSI
WVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTF
TSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFY
VVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTL
PATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLL
CLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAV
RGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIW
HYS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50000462
n/a
NameBDBM50000462
Synonyms:CHEMBL545719
TypeSmall organic molecule
Emp. Form.C18H21ClN2O
Mol. Mass.316.825
SMILESCl.O=c1n(cc2CCc3cccc1c23)C1CN2CCC1CC2 |(5.29,-.99,;-1.31,-3.3,;-1.32,-2.04,;-2.66,-1.28,;-2.66,.25,;-1.32,1.01,;-1.01,2.56,;.94,2.54,;1.34,1.01,;2.67,.25,;2.67,-1.28,;1.34,-2.04,;,-1.28,;,.25,;-4.01,-2.07,;-3.97,-3.71,;-5.39,-4.55,;-5.94,-3.08,;-4.85,-2.41,;-5.43,-1.23,;-6.85,-2.08,;-6.82,-3.74,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: