Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50280508
Substrate
n/a
Meas. Tech.
ChEMBL_3006 (CHEMBL619796)
Ki
31±n/a nM
Citation
 Langlois, M; Soulier, JL; Brémont, B; Shen, S; Rampillon, V; Giudice, A Derivatives of naphthalimide: new potent conformationally restricted antagonists of 5-HT3 receptors. Bioorg Med Chem Lett 2:691-694 (1992)    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:
BDBM50280508
Synonyms:
2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione | CHEMBL346555
Type:
Small organic molecule
Emp. Form.:
C19H17N3O4
Mol. Mass.:
351.356
SMILES:
[O-][N+](=O)c1ccc2C(=O)N(C3CN4CCC3CC4)C(=O)c3cccc1c23 |(1.16,-2.48,;1.98,-3.77,;1.29,-5.13,;3.52,-3.7,;4.22,-2.33,;5.76,-2.26,;6.57,-3.51,;8.13,-3.42,;8.8,-2.04,;8.96,-4.71,;10.5,-4.64,;11.34,-5.93,;12.88,-5.85,;12.59,-4.28,;11.58,-4.75,;11.18,-3.26,;12.72,-3.19,;13.57,-4.48,;8.27,-6.11,;9.12,-7.38,;6.73,-6.18,;6.02,-7.54,;4.48,-7.63,;3.66,-6.32,;4.36,-4.94,;5.89,-4.89,)|
Structure:
Search PDB for entries with ligand similarity: