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Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50076408
Substrate
n/a
Meas. Tech.
ChEMBL_3232 (CHEMBL618918)
Ki
0.70±n/a nM
Citation
 Cappelli, A; Anzini, M; Vomero, S; Canullo, L; Mennuni, L; Makovec, F; Doucet, E; Hamon, M; Menziani, MC; De Benedetti, PG; Bruni, G; Romeo, MR; Giorgi, G; Donati, A Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. J Med Chem 42:1556-75 (1999) [PubMed]  Article 
Target
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:
Rat
Description:
EBI_11885
Residue:
437
Sequence:
MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLCVHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFVDVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDIDLGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGVFFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTESPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVLGLYTVTLCSLWALWSRM
  
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:
MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDWRKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFYVVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLLCLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAVRGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
  
Inhibitor
Name:
BDBM50076408
Synonyms:
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-furan-2-yloxy)-ethyl]-quinoline | CHEMBL289664
Type:
Small organic molecule
Emp. Form.:
C26H30FN3O2
Mol. Mass.:
435.5337
SMILES:
CN1CCN(CC1)c1nc2ccccc2c(c1CCOC1CCCO1)-c1ccccc1F |(19.39,-9.64,;18.06,-8.87,;18.06,-7.32,;16.71,-6.51,;15.38,-7.32,;15.38,-8.87,;16.72,-9.64,;14.04,-6.56,;12.7,-7.35,;11.36,-6.56,;10.01,-7.35,;8.68,-6.58,;8.68,-5.02,;10.01,-4.25,;11.36,-5.02,;12.69,-4.24,;14.02,-5,;15.35,-4.23,;16.7,-4.98,;18.03,-4.21,;19.36,-4.95,;19.54,-6.48,;21.04,-6.79,;21.81,-5.44,;20.76,-4.31,;12.67,-2.71,;14,-1.94,;14,-.4,;12.66,.37,;11.32,-.43,;11.34,-1.96,;10.01,-2.75,)|
Structure:
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