Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50000486
Substrate
n/a
Meas. Tech.
ChEMBL_2987 (CHEMBL621504)
Ki
>30±n/a nM
Citation
 Youssefyeh, RD; Campbell, HF; Klein, S; Airey, JE; Darkes, P; Powers, M; Schnapper, M; Neuenschwander, K; Fitzpatrick, LR; Pendley, CE Development of high-affinity 5-HT3 receptor antagonists. 1. Initial structure-activity relationship of novel benzamides. J Med Chem 35:895-903 (1992) [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:
BDBM50000486
Synonyms:
CHEMBL368992 | N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-sec-butoxy-5-chloro-3-cyclohexyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C24H35ClN2O2
Mol. Mass.:
419
SMILES:
CCC(C)Oc1c(cc(Cl)cc1C(=O)NC1CN2CCC1CC2)C1CCCCC1 |(9.13,-5.17,;8.18,-5.01,;7.85,-4.11,;8.31,-3.27,;6.58,-4.11,;5.23,-3.35,;3.93,-4.14,;2.57,-3.35,;2.57,-1.81,;1.24,-1.03,;3.91,-1.03,;5.23,-1.79,;6.02,-.61,;5.51,.79,;7.67,-.72,;8.65,.66,;10.18,.85,;10.81,2.23,;9.61,2.53,;9,1.57,;7.73,1.9,;8.36,3.32,;9.9,3.5,;3.93,-5.68,;2.58,-6.44,;2.6,-7.97,;3.93,-8.76,;5.26,-7.97,;5.26,-6.43,)|
Structure:
Search PDB for entries with ligand similarity: