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Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50062446
Substrate
n/a
Meas. Tech.
ChEMBL_3162 (CHEMBL617807)
IC50
1.4±n/a nM
Citation
 Rival, Y; Hoffmann, R; Didier, B; Rybaltchenko, V; Bourguignon, JJ; Wermuth, CG 5-HT3 antagonists derived from aminopyridazine-type muscarinic M1 agonists. J Med Chem 41:311-7 (1998) [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:
Rattus norvegicus
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:
BDBM50062446
Synonyms:
3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-yl]-1-aza-bicyclo[2.2.2]octane | CHEMBL291031
Type:
Small organic molecule
Emp. Form.:
C18H20N4O
Mol. Mass.:
308.3776
SMILES:
Cn1cc(-c2noc(n2)C2CN3CCC2CC3)c2ccccc12 |TLB:7:9:13.12:15.16,(12.88,-12.88,;12.86,-11.36,;14.15,-10.61,;14.15,-9.1,;15.23,-8.03,;15.22,-6.52,;17.81,-6.52,;17.81,-8.01,;16.53,-8.78,;19.22,-8.8,;19.22,-10.41,;20.52,-11.16,;21.34,-9.77,;19.78,-9.35,;20.6,-7.97,;22.01,-8.78,;22.01,-10.39,;11.53,-9.11,;10.22,-8.34,;8.91,-9.11,;8.91,-10.63,;10.22,-11.4,;11.55,-10.63,)|
Structure:
Search PDB for entries with ligand similarity: