Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target5-hydroxytryptamine receptor 3A/3B
LigandBDBM50000448
Substrate/Competitorn/a
Meas. Tech.ChEMBL_3411 (CHEMBL620725)
Ki 5±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]
More Info.:Get all data from this article,  Assay Method
 
5-hydroxytryptamine receptor 3A/3B
Name:5-hydroxytryptamine receptor 3A/3B
Synonyms:Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 2974
Components:This complex has 2 components.
Component 1
Name:5-hydroxytryptamine receptor 3B
Synonyms:5HT3B_RAT | Htr3b | Serotonin (5-HT) receptor
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:5-hydroxytryptamine receptor 3A
Synonyms:5-HT3 | 5-hydroxytryptamine receptor 3A | 5HT3A_RAT | 5ht3 | Htr3 | Htr3a | Serotonin (5-HT) receptor | 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:
BDBM50000448
n/a
NameBDBM50000448
Synonyms:CHEMBL315518
TypeSmall organic molecule
Emp. Form.C21H27N3O
Mol. Mass.337.4586
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1c2CCCCCn2c2ccccc12 |wD:3.2,(4.44,-3.97,;5.07,-5.37,;6.6,-5.54,;7.5,-4.29,;6.87,-2.89,;7.78,-1.64,;9.31,-1.8,;9.92,-3.22,;9.03,-4.46,;9.31,-3.18,;7.77,-3.18,;4.16,-6.63,;4.65,-8.08,;5.96,-8.33,;6.61,-9.71,;5.83,-11.11,;4.27,-11.34,;3.2,-10.27,;3.39,-9.01,;2.15,-8.1,;.66,-8.41,;-.37,-7.3,;.08,-5.82,;1.59,-5.49,;2.62,-6.63,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: