Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50187377
Substrate
n/a
Meas. Tech.
ChEMBL_357762 (CHEMBL859019)
Ki
>5000±n/a nM
Citation
 Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem 49:3116-35 (2006) [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:
BDBM50187377
Synonyms:
CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide | N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide
Type:
Small organic molecule
Emp. Form.:
C23H38N4O3S
Mol. Mass.:
450.638
SMILES:
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Structure:
Search PDB for entries with ligand similarity: