Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50280503
Substrate
n/a
Meas. Tech.
ChEMBL_3006 (CHEMBL619796)
Ki
14±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:
BDBM50280503
Synonyms:
2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-6-chloro-benzo[de]isoquinoline-1,3-dione | CHEMBL159552
Type:
Small organic molecule
Emp. Form.:
C19H17ClN2O2
Mol. Mass.:
340.803
SMILES:
Clc1ccc2C(=O)N(C3CN4CCC3CC4)C(=O)c3cccc1c23 |(4.64,-5.54,;6.18,-5.47,;6.87,-4.11,;8.4,-4.03,;9.22,-5.29,;10.78,-5.2,;11.46,-3.82,;11.62,-6.5,;13.16,-6.41,;13.99,-7.7,;15.52,-7.63,;16.22,-6.25,;15.36,-4.97,;13.83,-5.04,;14.24,-6.53,;15.23,-6.06,;10.91,-7.88,;11.76,-9.17,;9.38,-7.98,;8.66,-9.33,;7.13,-9.41,;6.3,-8.11,;7.01,-6.74,;8.53,-6.67,)|
Structure:
Search PDB for entries with ligand similarity: