Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerotonin 3a (5-HT3a)/3b (5-HT3b) receptor
LigandBDBM50000471
Substrate/Competitorn/a
Meas. Tech.ChEMBL_3411
Ki 0.20±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 Chem36:2645-57 (1993) [PubMed]  Article
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:
BDBM50000471
NameBDBM50000471
Synonyms:CHEMBL542900
TypeSmall organic molecule
Emp. Form.C18H23ClN2O
Mol. Mass.318.841
SMILESCl.CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a