Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50000492
Substrate
n/a
Meas. Tech.
ChEMBL_3109 (CHEMBL620587)
Ki
1.3±n/a nM
Citation
 Rosen, T; Seeger, TF; McLean, S; Nagel, AA; Ives, JL; Guarino, KJ; Bryce, D; Furman, J; Roth, RW; Chalabi, PM Synthesis, in vitro binding profile, and central nervous system penetrability of the highly potent 5-HT3 receptor antagonist [3H]-4-(2-methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole. J Med Chem 33:3020-3 (1990) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 3A/3B
Synonyms:
Serotonin 3 receptor (5HT3)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 357762
Components:
This complex has 2 components.
Component 1
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT-3 | 5-HT3-A | 5-HT3A | 5-HT3A Serotonin Receptor | 5-HT3R | 5-hydroxytryptamine receptor 3 | 5-hydroxytryptamine receptor 3A | 5HT3A_MOUSE | 5ht3 | Htr3 | Htr3a | Serotonin 3 receptor (5HT3) | Serotonin 3a (5-HT3a) receptor | Serotonin receptor 3A | Serotonin-gated ion channel receptor
Type:
n/a
Mol. Mass.:
56056.00
Organism:
Mus musculus (house mouse)
Description:
5HT3A
Residue:
487
Sequence:
MRLCIPQVLLALFLSMLTAPGEGSRRRATQEDTTQPALLRLSDHLLANYKKGVRPVRDWRKPTTVSIDVIMYAILNVDEKNQVLTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNSYAEMKFYVIIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQRPVPDWLRHLVLDRIAWILCLGEQPMAHRPPATFQANKTDDCSGSDLLPAMGNHCSHVGGPQDLEKTPRGRGSPLPPPREASLAVRGLLQELSSIRHFLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
  
Component 2
Name:
5-hydroxytryptamine receptor 3B
Synonyms:
5HT3B_MOUSE | Htr3b | Serotonin 3 receptor (5HT3) | Serotonin 3b (5-HT3b) receptor
Type:
PROTEIN
Mol. Mass.:
50317.35
Organism:
Mus musculus
Description:
ChEMBL_3121
Residue:
437
Sequence:
MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLCVHAVLDVDVQNQKLKTSVWYREVWNDEFLSWNSSLFDEIQEISLPLSALWAPDIIINEFVDVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDIDLGFLRNREDIENDKRAFMNDSEWQLLSVSSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTPLIGVFFTVCMALLVLSLSKSILLIKFLYEERHSGQERPLMCLQGDSDAEESRLYLGAPRADVTESPVHQEHRVPSDTLKDFWFQFRSINNSLRTRDQIHQKEVEWLAILYRFDQLLFRIYLAVLGLYTVTLCSLWALWSRM
  
Inhibitor
Name:
BDBM50000492
Synonyms:
(zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide | 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide | 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide (Zacopride) | 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide(zacopride) | CHEMBL18041 | HTR5A4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide | ZACOPRIDE | ZACOPRIDE,R | ZACOPRIDE,RS | ZACOPRIDE,S
Type:
Small organic molecule
Emp. Form.:
C15H20ClN3O2
Mol. Mass.:
309.791
SMILES:
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
Structure:
Search PDB for entries with ligand similarity: